Crystallography Open Database
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Searching journal of publication like 'Journal of Applied Crystallography'
COD ID | Links | Formula | Space group | Cell parameters | Cell volume | Bibliography |
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2300292 | CIF Paper | Ni0.9 O Zn0.1 | R -3 m :H | 2.95546; 2.95546; 7.2665 90; 90; 120 | 54.968 | Kremenović, Aleksandar; Antić, Bratislav; Vučinić-Vasić, Milica; Colomban, Philippe; Jovalekić, Čedomir; Bibić, Nataša; Kahlenberg, Volker; Leoni, Matteo Temperature-induced structure and microstructure evolution of nanostructured Ni~0.9~Zn~0.1~O Journal of Applied Crystallography, 2010, 43, 699-709 |
2300293 | CIF Paper | Ni0.9 O Zn0.1 | R -3 m :H | 2.96064; 2.96064; 7.2592 90; 90; 120 | 55.105 | Kremenović, Aleksandar; Antić, Bratislav; Vučinić-Vasić, Milica; Colomban, Philippe; Jovalekić, Čedomir; Bibić, Nataša; Kahlenberg, Volker; Leoni, Matteo Temperature-induced structure and microstructure evolution of nanostructured Ni~0.9~Zn~0.1~O Journal of Applied Crystallography, 2010, 43, 699-709 |
2300294 | CIF Paper | Ni0.9 O Zn0.1 | R -3 m :H | 2.9607; 2.9607; 7.25817 90; 90; 120 | 55.0994 | Kremenović, Aleksandar; Antić, Bratislav; Vučinić-Vasić, Milica; Colomban, Philippe; Jovalekić, Čedomir; Bibić, Nataša; Kahlenberg, Volker; Leoni, Matteo Temperature-induced structure and microstructure evolution of nanostructured Ni~0.9~Zn~0.1~O Journal of Applied Crystallography, 2010, 43, 699-709 |
2300295 | CIF Paper | Fe2 Ni O4 | F d -3 m :2 | 8.35966; 8.35966; 8.35966 90; 90; 90 | 584.206 | Kremenović, Aleksandar; Antić, Bratislav; Vučinić-Vasić, Milica; Colomban, Philippe; Jovalekić, Čedomir; Bibić, Nataša; Kahlenberg, Volker; Leoni, Matteo Temperature-induced structure and microstructure evolution of nanostructured Ni~0.9~Zn~0.1~O Journal of Applied Crystallography, 2010, 43, 699-709 |
2300296 | CIF Paper | O2 Zr | P 1 21/c 1 | 5.1477; 5.2096; 5.3164 90; 99.215; 90 | 140.732 | Suzuki-Muresan, T.; Deniard, P.; Gautron, E.; Petříček, V.; Jobic, S.; Grambow, B. Minimization of absorption contrast for accurate amorphous phase quantification: application to ZrO~2~ nanoparticles Journal of Applied Crystallography, 2010, 43, 1092-1099 |
2300297 | CIF Paper | O1.985 Y0.03 Zr0.97 | P 42/n m c S | 3.6244; 3.6244; 5.156 90; 90; 90 | 67.731 | Suzuki-Muresan, T.; Deniard, P.; Gautron, E.; Petříček, V.; Jobic, S.; Grambow, B. Minimization of absorption contrast for accurate amorphous phase quantification: application to ZrO~2~ nanoparticles Journal of Applied Crystallography, 2010, 43, 1092-1099 |
2300298 | CIF Paper | O1.985 Y0.03 Zr0.97 | P 42/n m c S | 3.6132; 3.6132; 5.1649 90; 90; 90 | 67.429 | Suzuki-Muresan, T.; Deniard, P.; Gautron, E.; Petříček, V.; Jobic, S.; Grambow, B. Minimization of absorption contrast for accurate amorphous phase quantification: application to ZrO~2~ nanoparticles Journal of Applied Crystallography, 2010, 43, 1092-1099 |
2300299 | CIF Paper | Sb10 Te3 | R -3 m :H | 4.289; 4.289; 75.51 90; 90; 120 | 1202.9 | Schneider, Matthias N.; Seibald, Markus; Lagally, Patrick; Oeckler, Oliver Ambiguities in the structure determination of antimony tellurides arising from almost homometric structure models and stacking disorder Journal of Applied Crystallography, 2010, 43, 1012-1020 |
2300300 | CIF | Pb0.18 Sb7.82 Te3 | R -3 m :H | 4.2874; 4.2874; 64.3 90; 90; 120 | 1023.6 | Schneider, Matthias N.; Seibald, Markus; Lagally, Patrick; Oeckler, Oliver Ambiguities in the structure determination of antimony tellurides arising from almost homometric structure models and stacking disorder Journal of Applied Crystallography, 2010, 43, 1012-1020 |
2300301 | CIF | C6 H6 Cl N O6 | P 1 21/c 1 | 5.5046; 13.574; 17.423 90; 137.919; 90 | 872.5 | Ye, Heng-Yun; Cai, Hong-Ling; Ge, Jia-Zeng; Xiong, Ren-Gen Reversible structural phase transition of pyridinium-4-carboxylic acid perchlorate Journal of Applied Crystallography, 2010, 43, 1031-1035 |
2300302 | CIF | C6 H6 Cl N O6 | P 1 21/c 1 | 17.356; 13.241; 16.161 90; 138.055; 90 | 2482.5 | Ye, Heng-Yun; Cai, Hong-Ling; Ge, Jia-Zeng; Xiong, Ren-Gen Reversible structural phase transition of pyridinium-4-carboxylic acid perchlorate Journal of Applied Crystallography, 2010, 43, 1031-1035 |
2300303 | CIF Paper | C6 H6 N2 O2 | P c a 21 | 18.7169; 6.5215; 5.0014 90; 90; 90 | 610.48 | Probert, Michael R.; Robertson, Craig M.; Coome, Jonathan A.; Howard, Judith A. K.; Michell, Brian C.; Goeta, Andrés E. The XIPHOS diffraction facility for extreme sample conditions Journal of Applied Crystallography, 2010, 43, 1415-1418 |
2300304 | CIF Paper | C14 H14 O2 S | P -1 | 4.736; 10.819; 12.206 89.727; 78.904; 89.977 | 613.7 | Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E. Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist? Journal of Applied Crystallography, 2011, 44, 213-215 |
2300305 | CIF Paper | C14 H14 O2 S | C 1 2/c 1 | 24.003; 4.7435; 10.8255 90; 90.185; 90 | 1232.6 | Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E. Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist? Journal of Applied Crystallography, 2011, 44, 213-215 |
2300306 | CIF Paper | C14 H14 O2 S | C 1 2/c 1 | 24.012; 4.7429; 10.8321 90; 90.197; 90 | 1233.6 | Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E. Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist? Journal of Applied Crystallography, 2011, 44, 213-215 |
2300307 | CIF Paper | C14 H11 F N2 S | P 1 21/c 1 | 10.1; 11.365; 11.3 90; 97.464; 90 | 1286.1 | Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E. Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist? Journal of Applied Crystallography, 2011, 44, 213-215 |
2300309 | CIF Paper | C14 H11 F N2 S | P 1 21/c 1 | 10.1414; 11.3865; 11.3289 90; 97.4; 90 | 1297.31 | Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E. Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist? Journal of Applied Crystallography, 2011, 44, 213-215 |
2300310 | CIF Paper | C14 H11 F N2 S | P 1 21/c 1 | 10.1385; 11.3898; 11.3325 90; 97.467; 90 | 1297.5 | Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E. Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist? Journal of Applied Crystallography, 2011, 44, 213-215 |
2300311 | CIF Paper | C14 H11 F N2 S | P 1 21/c 1 | 10.1375; 11.3871; 11.3412 90; 97.482; 90 | 1298 | Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E. Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist? Journal of Applied Crystallography, 2011, 44, 213-215 |
2300312 | CIF Paper | C14 H11 F N2 S | P 1 21/c 1 | 10.137; 11.413; 11.345 90; 97.465; 90 | 1301.4 | Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E. Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist? Journal of Applied Crystallography, 2011, 44, 213-215 |
2300313 | CIF Paper | C17 H20 Cl2 N2 Pd | P 1 21/c 1 | 9.356; 9.9295; 19.357 90; 90.47; 90 | 1798.2 | Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E. Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist? Journal of Applied Crystallography, 2011, 44, 213-215 |
2300314 | CIF Paper | C17 H20 Cl2 N2 Pd | P 1 21/c 1 | 9.356; 9.9295; 19.357 90; 90.47; 90 | 1798.2 | Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E. Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist? Journal of Applied Crystallography, 2011, 44, 213-215 |
2300315 | CIF Paper | C16 H18 Cl2 N2 Pd | P -1 | 8.5305; 9.6211; 10.988 72.593; 78.78; 83.039 | 842.2 | Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E. Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist? Journal of Applied Crystallography, 2011, 44, 213-215 |
2300316 | CIF Paper | C16 H18 Cl2 N2 Pd | P -1 | 8.5305; 9.6211; 10.988 72.593; 78.78; 83.039 | 842.2 | Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E. Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist? Journal of Applied Crystallography, 2011, 44, 213-215 |
2300317 | CIF Paper | C13 H10 O S | P 1 21/n 1 | 8.007; 16.958; 8.031 90; 95.097; 90 | 1086.2 | Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E. Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist? Journal of Applied Crystallography, 2011, 44, 213-215 |
2300318 | CIF Paper | C13 H10 O S | P 1 21/n 1 | 8.007; 16.958; 8.031 90; 95.097; 90 | 1086.2 | Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E. Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist? Journal of Applied Crystallography, 2011, 44, 213-215 |
2300319 | CIF Paper | C12 H16 O3 | P 1 21/c 1 | 8.894; 16.22; 7.742 90; 90.214; 90 | 1116.9 | Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E. Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist? Journal of Applied Crystallography, 2011, 44, 213-215 |
2300320 | CIF Paper | C12 H16 O3 | P 1 21/c 1 | 8.894; 16.22; 7.742 90; 90.214; 90 | 1116.9 | Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E. Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist? Journal of Applied Crystallography, 2011, 44, 213-215 |
2300321 | CIF Paper | C13 H18 N2 O3 S | P 1 21/c 1 | 12.8651; 15.3291; 7.1435 90; 93.379; 90 | 1406.3 | Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E. Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist? Journal of Applied Crystallography, 2011, 44, 213-215 |
2300322 | CIF Paper | C13 H18 N2 O3 S | P 1 21/c 1 | 12.8651; 15.3291; 7.1435 90; 93.379; 90 | 1406.3 | Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E. Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist? Journal of Applied Crystallography, 2011, 44, 213-215 |
2300323 | CIF Paper | C21 H21 N O3 S2 | P 1 21/c 1 | 11.7771; 11.4544; 14.9031 90; 95.945; 90 | 1999.6 | Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E. Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist? Journal of Applied Crystallography, 2011, 44, 213-215 |
2300324 | CIF Paper | C21 H21 N O3 S2 | P 1 21/c 1 | 11.7937; 11.4816; 14.9358 90; 95.972; 90 | 2011.5 | Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E. Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist? Journal of Applied Crystallography, 2011, 44, 213-215 |
2300325 | CIF Paper | C21 H21 N O3 S2 | P 1 21/c 1 | 11.7937; 11.4816; 14.9358 90; 95.972; 90 | 2011.5 | Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E. Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist? Journal of Applied Crystallography, 2011, 44, 213-215 |
2300326 | CIF Paper | C13 H10 F2 O S | P c a 21 | 8.3649; 5.5063; 25.129 90; 90; 90 | 1157.4 | Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E. Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist? Journal of Applied Crystallography, 2011, 44, 213-215 |
2300327 | CIF Paper | C15 H12 N2 O | P 1 21/n 1 | 7.55; 11.186; 13.954 90; 92.938; 90 | 1176.9 | Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E. Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist? Journal of Applied Crystallography, 2011, 44, 213-215 |
2300328 | CIF Paper | C13 H10 I N O2 S | P -1 | 7.4946; 7.7421; 11.4816 95.418; 103.879; 96.985 | 636.65 | Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E. Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist? Journal of Applied Crystallography, 2011, 44, 213-215 |
2300329 | CIF Paper | C13 H10 I N O2 S | P -1 | 7.5076; 7.76; 11.507 95.317; 103.999; 97.013 | 640.4 | Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E. Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist? Journal of Applied Crystallography, 2011, 44, 213-215 |
2300330 | CIF Paper | C13 H10 I N O2 S | P -1 | 7.5076; 7.76; 11.507 95.317; 103.999; 97.013 | 640.4 | Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E. Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist? Journal of Applied Crystallography, 2011, 44, 213-215 |
2300331 | CIF Paper | C7 H5 N O3 S | P 1 21/c 1 | 9.583; 6.9252; 11.8518 90; 103.815; 90 | 763.78 | Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E. Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist? Journal of Applied Crystallography, 2011, 44, 213-215 |
2300332 | CIF Paper | C7 H5 N O3 S | P 1 21/c 1 | 9.6083; 6.9347; 11.882 90; 103.834; 90 | 768.7 | Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E. Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist? Journal of Applied Crystallography, 2011, 44, 213-215 |
2300333 | CIF Paper | C7 H0 N O3 S | P 1 21/c 1 | 9.6083; 6.9347; 11.882 90; 103.834; 90 | 768.7 | Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E. Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist? Journal of Applied Crystallography, 2011, 44, 213-215 |
2300334 | CIF Paper | C6 H5 I N2 O2 | P 1 21/c 1 | 7.7617; 12.912; 15.663 90; 95.141; 90 | 1563.4 | Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E. Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist? Journal of Applied Crystallography, 2011, 44, 213-215 |
2300335 | CIF Paper | C12 H6 I2 N4 O4 | P 1 21/c 1 | 7.7617; 12.912; 15.663 90; 95.141; 90 | 1563.4 | Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E. Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist? Journal of Applied Crystallography, 2011, 44, 213-215 |
2300336 | CIF Paper | C15 H14 N2 O2 S | P 21 21 21 | 7.7598; 9.9684; 18.231 90; 90; 90 | 1410.2 | Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E. Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist? Journal of Applied Crystallography, 2011, 44, 213-215 |
2300338 | CIF Paper | C15 H14 N2 O2 S | P 21 21 21 | 7.7592; 9.9677; 18.23 90; 90; 90 | 1409.9 | Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E. Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist? Journal of Applied Crystallography, 2011, 44, 213-215 |
2300339 | CIF Paper | C17 H23 N3 O5 S2 | P 1 21/n 1 | 7.811; 17.503; 15.892 90; 103.305; 90 | 2114 | Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E. Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist? Journal of Applied Crystallography, 2011, 44, 213-215 |
2300341 | CIF Paper | C17 H23 N3 O5 S2 | P 1 21/n 1 | 7.811; 17.503; 15.892 90; 103.305; 90 | 2114 | Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E. Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist? Journal of Applied Crystallography, 2011, 44, 213-215 |
2300342 | CIF Paper | C7 H12 N4 O3 S | P 1 21 1 | 5.6095; 7.3299; 12.491 90; 93.297; 90 | 512.74 | Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E. Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist? Journal of Applied Crystallography, 2011, 44, 213-215 |
2300344 | CIF Paper | C7 H12 N4 O3 S | P 1 21 1 | 5.6245; 7.354; 12.521 90; 93.445; 90 | 517 | Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E. Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist? Journal of Applied Crystallography, 2011, 44, 213-215 |
2300345 | CIF Paper | C7 H8 N4 O S | P 1 21 1 | 5.6245; 7.354; 12.521 90; 93.445; 90 | 517 | Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E. Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist? Journal of Applied Crystallography, 2011, 44, 213-215 |
2300346 | CIF Paper | C25 H22 N O P S | P -1 | 10.2699; 11.1605; 11.1911 85.945; 67.75; 70.671 | 1118.07 | Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E. Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist? Journal of Applied Crystallography, 2011, 44, 213-215 |
2300347 | CIF Paper | C25 H22 N O P S | P -1 | 10.2699; 11.1605; 11.1911 85.945; 67.75; 70.671 | 1118.07 | Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E. Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist? Journal of Applied Crystallography, 2011, 44, 213-215 |
2300348 | CIF Paper | C13 H13 N O2 S | P -1 | 10.259; 11.05; 13.38 67.808; 87.291; 67.435 | 1288.4 | Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E. Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist? Journal of Applied Crystallography, 2011, 44, 213-215 |
2300349 | CIF Paper | C13 H13 N O2 S | P -1 | 10.289; 11.0563; 13.4402 67.823; 87.573; 67.616 | 1299.9 | Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E. Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist? Journal of Applied Crystallography, 2011, 44, 213-215 |
2300351 | CIF Paper | C13 H12 N O2 S | P -1 | 10.289; 11.0563; 13.4402 67.823; 87.573; 67.616 | 1299.9 | Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E. Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist? Journal of Applied Crystallography, 2011, 44, 213-215 |
2300352 | CIF Paper | Fe Li O4 P | P n m a | 10.4008; 6.0523; 4.7324 90; 90; 90 | 297.91 | Jensen, Kirsten; Christensen, Mogens; Tyrsted, Christoffer; Brummerstedt Iversen, Bo Real-time synchrotron powder X-ray diffraction study of the antisite defect formation during sub- and supercritical synthesis of LiFePO~4~ and LiFe~1{-~<i>x</i>}Mn~<i>x~</i>PO~4~ nanoparticles Journal of Applied Crystallography, 2011, 44, 287-294 |
2300353 | CIF Paper | Fe0.75 Li Mn0.25 O4 P | P n m a | 10.3789; 6.0394; 4.7211 90; 90; 90 | 295.931 | Jensen, Kirsten; Christensen, Mogens; Tyrsted, Christoffer; Brummerstedt Iversen, Bo Real-time synchrotron powder X-ray diffraction study of the antisite defect formation during sub- and supercritical synthesis of LiFePO~4~ and LiFe~1{-~<i>x</i>}Mn~<i>x~</i>PO~4~ nanoparticles Journal of Applied Crystallography, 2011, 44, 287-294 |
2300354 | CIF Paper | Fe0.5 Li Mn0.5 O4 P | P n m a | 10.4072; 6.06188; 4.73357 90; 90; 90 | 298.628 | Jensen, Kirsten; Christensen, Mogens; Tyrsted, Christoffer; Brummerstedt Iversen, Bo Real-time synchrotron powder X-ray diffraction study of the antisite defect formation during sub- and supercritical synthesis of LiFePO~4~ and LiFe~1{-~<i>x</i>}Mn~<i>x~</i>PO~4~ nanoparticles Journal of Applied Crystallography, 2011, 44, 287-294 |
2300355 | CIF Paper | Fe0.25 Li Mn0.75 O4 P | P n m a | 10.4303; 6.08084; 4.74531 90; 90; 90 | 300.971 | Jensen, Kirsten; Christensen, Mogens; Tyrsted, Christoffer; Brummerstedt Iversen, Bo Real-time synchrotron powder X-ray diffraction study of the antisite defect formation during sub- and supercritical synthesis of LiFePO~4~ and LiFe~1{-~<i>x</i>}Mn~<i>x~</i>PO~4~ nanoparticles Journal of Applied Crystallography, 2011, 44, 287-294 |
2300356 | CIF Paper | C2 H6 O6 | P 1 21/n 1 | 6.0514; 3.5482; 11.996 90; 106.26; 90 | 247.27 | Chakoumakos, Bryan C.; Cao, Huibo; Ye, Feng; Stoica, Alexandru D.; Popovici, Mihai; Sundaram, Madhan; Zhou, Wenduo; Hicks, J. Steve; Lynn, Gary W.; Riedel, Richard A. Four-circle single-crystal neutron diffractometer at the High Flux Isotope Reactor Journal of Applied Crystallography, 2011, 44, 655-658 |
2300357 | CIF Paper | C6 H24 N8 Ni O6 | P 63 2 2 | 8.8647; 8.8647; 11.3595 90; 90; 120 | 773.07 | Macchi, Piero; Bürgi, Hans-Beat; Chimpri, Abita S.; Hauser, Jürg; Gál, Zoltán Low-energy contamination of Mo microsource X-ray radiation: analysis and solution of the problem Journal of Applied Crystallography, 2011, 44, 763-771 |
2300358 | CIF Paper | C6 H24 N8 Ni O6 | P 63 2 2 | 8.8647; 8.8647; 11.3595 90; 90; 120 | 773.07 | Macchi, Piero; Bürgi, Hans-Beat; Chimpri, Abita S.; Hauser, Jürg; Gál, Zoltán Low-energy contamination of Mo microsource X-ray radiation: analysis and solution of the problem Journal of Applied Crystallography, 2011, 44, 763-771 |
2300359 | CIF Paper | C6 H24 N8 Ni O6 | P 61 2 2 | 8.806; 8.806; 33.147 90; 90; 120 | 2226 | Macchi, Piero; Bürgi, Hans-Beat; Chimpri, Abita S.; Hauser, Jürg; Gál, Zoltán Low-energy contamination of Mo microsource X-ray radiation: analysis and solution of the problem Journal of Applied Crystallography, 2011, 44, 763-771 |
2300360 | CIF Paper | C6 H24 N8 Ni O6 | P 61 2 2 | 8.806; 8.806; 33.147 90; 90; 120 | 2226 | Macchi, Piero; Bürgi, Hans-Beat; Chimpri, Abita S.; Hauser, Jürg; Gál, Zoltán Low-energy contamination of Mo microsource X-ray radiation: analysis and solution of the problem Journal of Applied Crystallography, 2011, 44, 763-771 |
2300361 | CIF Paper | C6 H24 N8 Ni O6 | P 63 2 2 | 8.8647; 8.8647; 11.3595 90; 90; 120 | 773.07 | Macchi, Piero; Bürgi, Hans-Beat; Chimpri, Abita S.; Hauser, Jürg; Gál, Zoltán Low-energy contamination of Mo microsource X-ray radiation: analysis and solution of the problem Journal of Applied Crystallography, 2011, 44, 763-771 |
2300362 | CIF Paper | C8 H14 N2 O8 | C 1 2/c 1 | 15.805; 5.6535; 12.126 90; 107.55; 90 | 1033.1 | Macchi, Piero; Bürgi, Hans-Beat; Chimpri, Abita S.; Hauser, Jürg; Gál, Zoltán Low-energy contamination of Mo microsource X-ray radiation: analysis and solution of the problem Journal of Applied Crystallography, 2011, 44, 763-771 |
2300363 | CIF Paper | C8 H14 N2 O8 | C 1 2/c 1 | 15.8205; 5.68202; 12.09246 90; 107.333; 90 | 1037.66 | Macchi, Piero; Bürgi, Hans-Beat; Chimpri, Abita S.; Hauser, Jürg; Gál, Zoltán Low-energy contamination of Mo microsource X-ray radiation: analysis and solution of the problem Journal of Applied Crystallography, 2011, 44, 763-771 |
2300364 | CIF Paper | C8 H14 N2 O8 | C 1 2/c 1 | 15.82035; 5.68088; 12.09343 90; 107.332; 90 | 1037.53 | Macchi, Piero; Bürgi, Hans-Beat; Chimpri, Abita S.; Hauser, Jürg; Gál, Zoltán Low-energy contamination of Mo microsource X-ray radiation: analysis and solution of the problem Journal of Applied Crystallography, 2011, 44, 763-771 |
2300365 | CIF HKL | Ge O2 | P 31 2 1 | 4.989; 4.989; 5.6527 90; 90; 120 | 121.847 | Lignie, Adrien; Granier, Dominique; Armand, Pascale; Haines, Julien; Papet, Philippe Modulation of quartz-like GeO~2~ structure by Si substitution: an X-ray diffraction study of Ge~1{-~<i>x</i>}Si<i>~x~</i>O~2~ (0 {łeq} <i>x</i> < 0.2) flux-grown single crystals Journal of Applied Crystallography, 2012, 45, 272-278 |
2300366 | CIF | Ge0.97 O2 Si0.03 | P 32 2 1 | 4.983; 4.983; 5.6339 90; 90; 120 | 121.149 | Lignie, Adrien; Granier, Dominique; Armand, Pascale; Haines, Julien; Papet, Philippe Modulation of quartz-like GeO~2~ structure by Si substitution: an X-ray diffraction study of Ge~1{-~<i>x</i>}Si<i>~x~</i>O~2~ (0 {łeq} <i>x</i> < 0.2) flux-grown single crystals Journal of Applied Crystallography, 2012, 45, 272-278 |
2300367 | CIF | Ge0.96 O2 Si0.04 | P 31 2 1 | 4.9805; 4.9805; 5.627 90; 90; 120 | 120.88 | Lignie, Adrien; Granier, Dominique; Armand, Pascale; Haines, Julien; Papet, Philippe Modulation of quartz-like GeO~2~ structure by Si substitution: an X-ray diffraction study of Ge~1{-~<i>x</i>}Si<i>~x~</i>O~2~ (0 {łeq} <i>x</i> < 0.2) flux-grown single crystals Journal of Applied Crystallography, 2012, 45, 272-278 |
2300368 | CIF HKL | Ge0.9 O2 Si0.1 | P 32 2 1 | 4.97517; 4.97517; 5.60565 90; 90; 120 | 120.163 | Lignie, Adrien; Granier, Dominique; Armand, Pascale; Haines, Julien; Papet, Philippe Modulation of quartz-like GeO~2~ structure by Si substitution: an X-ray diffraction study of Ge~1{-~<i>x</i>}Si<i>~x~</i>O~2~ (0 {łeq} <i>x</i> < 0.2) flux-grown single crystals Journal of Applied Crystallography, 2012, 45, 272-278 |
2300369 | CIF HKL | Ge0.83 O2 Si0.17 | P 31 2 1 | 4.9707; 4.9707; 5.5873 90; 90; 120 | 119.555 | Lignie, Adrien; Granier, Dominique; Armand, Pascale; Haines, Julien; Papet, Philippe Modulation of quartz-like GeO~2~ structure by Si substitution: an X-ray diffraction study of Ge~1{-~<i>x</i>}Si<i>~x~</i>O~2~ (0 {łeq} <i>x</i> < 0.2) flux-grown single crystals Journal of Applied Crystallography, 2012, 45, 272-278 |
2300370 | CIF | O2 Si | P 32 2 1 | 4.91636; 4.91636; 5.4084 90; 90; 120 | 113.211 | Lignie, Adrien; Granier, Dominique; Armand, Pascale; Haines, Julien; Papet, Philippe Modulation of quartz-like GeO~2~ structure by Si substitution: an X-ray diffraction study of Ge~1{-~<i>x</i>}Si<i>~x~</i>O~2~ (0 {łeq} <i>x</i> < 0.2) flux-grown single crystals Journal of Applied Crystallography, 2012, 45, 272-278 |
2300371 | CIF HKL Paper | C9 H13 N3 O5 | P 21 21 21 | 5.0784; 13.9046; 14.6992 90; 90; 90 | 1037.96 | Coome, J. A.; Goeta, A. E.; Howard, J. A. K.; Probert, M. R. <i>Masquerade</i>: removing non-sample scattering from integrated reflection intensities Journal of Applied Crystallography, 2012, 45, 292-298 |
2300372 | CIF HKL Paper | C17 H14 O | P b c a | 15.4307; 10.2659; 16.4124 90; 90; 90 | 2599.9 | Rajasekar, M.; Muthu, K.; Bhagavannarayana, G.; Meenakshisundaram, S. P. Synthesis, structure, growth and characterization of an organic crystal: 1,5-diphenylpenta-2,4-dien-1-one Journal of Applied Crystallography, 2012, 45, 914-920 |
2300373 | CIF Paper | H18 O12 S | I 1 2 1 | 7.44247; 7.445; 26.1168 90; 125.043; 90 | 1184.78 | Maynard-Casely, Helen E.; Brand, Helen E. A.; Wallwork, Kia S. Structure and thermal expansion of sulfuric acid octahydrate Journal of Applied Crystallography, 2012, 45, 1198-1207 |
2300374 | CIF Paper | C25 H30 N4 O3 | P 21 21 21 | 35.9422; 12.91819; 4.99532 90; 90; 90 | 2319.37 | Bushmarinov, Ivan S.; Dmitrienko, Artem O.; Korlyukov, Alexander A.; Antipin, Mikhail Yu. Rietveld refinement and structure verification using `Morse' restraints Journal of Applied Crystallography, 2012, 45, 1187-1197 |
2300375 | CIF Paper | Al2 O3 | R -3 c :H | 4.76029; 4.76029; 12.992 90; 90; 120 | 254.96 | Wood, Ian G.; Ahmed, Jabraan; Dobson, David P.; Vočadlo, Lidunka High-pressure phase transitions and equations of state in NiSi. III. A new high-pressure phase of NiSi Journal of Applied Crystallography, 2013, 46, 14-24 |
2300376 | CIF Paper | Ni Si | P 21 3 | 4.49678; 4.49678; 4.49678 90; 90; 90 | 90.9295 | Wood, Ian G.; Ahmed, Jabraan; Dobson, David P.; Vočadlo, Lidunka High-pressure phase transitions and equations of state in NiSi. III. A new high-pressure phase of NiSi Journal of Applied Crystallography, 2013, 46, 14-24 |
2300377 | CIF Paper | Ni Si | P m m n :2 | 3.2735; 3.02662; 4.69776 90; 90; 90 | 46.544 | Wood, Ian G.; Ahmed, Jabraan; Dobson, David P.; Vočadlo, Lidunka High-pressure phase transitions and equations of state in NiSi. III. A new high-pressure phase of NiSi Journal of Applied Crystallography, 2013, 46, 14-24 |
2300378 | CIF | Ag3 Mg | F m -3 m | 4.1526; 4.1526; 4.1526 90; 90; 90 | 71.608 | Laine, E.; Tarne, T.; Haemaelaeinen, M. Thermal expansion of the Ag3 Mg alloy in the ordered and disordered states Journal of Applied Crystallography, 1969, 2, 95-101 |
2300379 | CIF | B Lu O3 | R -3 c :H | 4.9153; 4.9153; 16.212 90; 90; 120 | 339.209 | Bernstein, J.L.; Keve, E.T.; Abrahams, S.C. Application of Normal Probability Plot Analysis to Lutetium Orthoborate Structure Factors and Parameters Journal of Applied Crystallography, 1971, 4, 284-290 |
2300380 | CIF Paper | C15 H4 Cu2 O10 | F m -3 m | 26.3034; 26.3034; 26.3034 90; 90; 90 | 18198.5 | Yakovenko, Andrey A.; Reibenspies, Joseph H.; Bhuvanesh, Nattamai; Zhou, Hong-Cai Generation and applications of structure envelopes for porous metal‒organic frameworks Journal of Applied Crystallography, 2013, 46, 346-353 |
2300381 | CIF Paper | C33 H4 Cu2 O10 | F m -3 m | 26.3167; 26.3167; 26.3167 90; 90; 90 | 18226.1 | Yakovenko, Andrey A.; Reibenspies, Joseph H.; Bhuvanesh, Nattamai; Zhou, Hong-Cai Generation and applications of structure envelopes for porous metal‒organic frameworks Journal of Applied Crystallography, 2013, 46, 346-353 |
2300382 | CIF Paper | C8.5 H7 Cu N5 O2 | C 1 2/c 1 | 28.697; 9.2637; 9.3223 90; 116.087; 90 | 2225.8 | Yakovenko, Andrey A.; Reibenspies, Joseph H.; Bhuvanesh, Nattamai; Zhou, Hong-Cai Generation and applications of structure envelopes for porous metal‒organic frameworks Journal of Applied Crystallography, 2013, 46, 346-353 |
2300383 | CIF Paper | C356 H32 Y4 | C m c 21 | 11.22205; 34.8174; 11.22569 90; 90; 90 | 4386.13 | Maki, Sachiko; Nishibori, Eiji; Kawaguchi, Daisuke; Sakata, Makoto; Takata, Masaki; Inoue, Takashi; Shinohara, Hisanori Element-selective charge density visualization of endohedral metallofullerenes using synchrotron X-ray multi-wavelength anomalous powder diffraction data Journal of Applied Crystallography, 2013, 46, 649-655 |
2300384 | CIF HKL | C13 H10 O | P 21 21 21 | 7.979; 10.274; 12.103 90; 90; 90 | 992.2 | Reilly, Anthony M.; Wann, Derek A.; Gutmann, Matthias J.; Jura, Marek; Morrison, Carole A.; Rankin, David W. H. Predicting anisotropic displacement parameters using molecular dynamics: density functional theory plus dispersion modelling of thermal motion in benzophenone Journal of Applied Crystallography, 2013, 46, 656-662 |
2300385 | CIF HKL | C13 H10 O | P 21 21 21 | 7.7145; 10.2301; 12.0269 90; 90; 90 | 949.2 | Reilly, Anthony M.; Wann, Derek A.; Gutmann, Matthias J.; Jura, Marek; Morrison, Carole A.; Rankin, David W. H. Predicting anisotropic displacement parameters using molecular dynamics: density functional theory plus dispersion modelling of thermal motion in benzophenone Journal of Applied Crystallography, 2013, 46, 656-662 |
2300386 | CIF | C13 H10 O | P 21 21 21 | 7.9958; 10.2907; 12.174 90; 90; 90 | 1001.7 | Reilly, Anthony M.; Wann, Derek A.; Gutmann, Matthias J.; Jura, Marek; Morrison, Carole A.; Rankin, David W. H. Predicting anisotropic displacement parameters using molecular dynamics: density functional theory plus dispersion modelling of thermal motion in benzophenone Journal of Applied Crystallography, 2013, 46, 656-662 |
2300387 | CIF HKL Paper | B3 Ba5 F O9 | P n m a | 7.60788; 14.8299; 10.2865 90; 90; 90 | 1160.57 | Rashchenko, Sergey V.; Bekker, Tatyana B.; Bakakin, Vladimir V.; Seryotkin, Yurii V.; Kokh, Alexander E.; Gille, Peter; Popov, Arthur I.; Fedorov, Pavel P. A new mechanism of anionic substitution in fluoride borates Journal of Applied Crystallography, 2013, 46, 1081-1084 |
2300388 | CIF Paper | As0.84 Cu1.08 Mn0.94 | P 4/n m m :2 | 3.82; 3.82; 6.318 90; 90; 90 | 92.2 | Wadley, P.; Crespi, A.; Gázquez, J.; Roldán, M.A.; García, P.; Novak, V.; Campion, R.; Jungwirth, T.; Rinaldi, C.; Martí, X.; Holy, V.; Frontera, C.; Rius, J. Obtaining the structure factors for an epitaxial film using Cu X-ray radiation Journal of Applied Crystallography, 2013, 46, 1749-1754 |
2300389 | CIF | C33 H33 N3 O6 Pd S3 | P 1 21/c 1 | 8.5627; 10.4508; 35.5429 90; 94.294; 90 | 3171.7 | Coles, Simon J.; Hursthouse, Michael B. Focusing optics for molybdenum radiation: a bright laboratory source for small-molecule crystallography Journal of Applied Crystallography, 2004, 37, 988 |
2300390 | CIF | C33 H33 N3 O6 Pd S3 | P 1 21/c 1 | 8.5467; 10.4343; 35.4794 90; 94.325; 90 | 3155 | Coles, Simon J.; Hursthouse, Michael B. Focusing optics for molybdenum radiation: a bright laboratory source for small-molecule crystallography Journal of Applied Crystallography, 2004, 37, 988 |
2300391 | CIF | B12 Cs2 Li2 O20 | I -4 2 d | 10.467; 10.467; 8.922 90; 90; 90 | 977.48 | Herreros-Cedrés, Javier; Hernández-Rodriguez, Cecilio; Kaminsky, Werner Absolute optical rotation of CsLiB6O10 Journal of Applied Crystallography, 2005, 38, 544 |
2300392 | CIF | C10 H16 N O1.5 | P 21 21 21 | 7.3188; 11.2018; 24.0156 90; 90; 90 | 1968.89 | Krebs, Frederik C.; Jørgensen, Mikkel; Lebech, Bente; Frydenvang, Karla A perdeuterated cryoprotectant for neutron studies and a demonstration of its use for neutron powder diffraction onL-(−)-ephedrine hemihydrate Journal of Applied Crystallography, 2001, 34, 203 |
2300393 | CIF | C10 H16 N O1.5 | P 21 21 21 | 7.3105; 11.1878; 23.979 90; 90; 90 | 1961.2 | Krebs, Frederik C.; Jørgensen, Mikkel; Lebech, Bente; Frydenvang, Karla A perdeuterated cryoprotectant for neutron studies and a demonstration of its use for neutron powder diffraction onL-(−)-ephedrine hemihydrate Journal of Applied Crystallography, 2001, 34, 203 |
2300442 | CIF | Gd K O8 W2 | C 1 2/c 1 | 10.652; 10.374; 7.582 90; 130.8; 90 | 634.2 | Pujol, M. C.; Solé, R.; Massons, J.; Gavaldà, Jna.; Solans, X.; Zaldo, C.; Díaz, F.; Aguiló, M. Structural study of monoclinic KGd(WO4)2and effects of lanthanide substitution Journal of Applied Crystallography, 2001, 34, 1 |
2300443 | CIF | C12 H24 B2 F8 Fe N24 | P 1 21/n 1 | 17.566; 10.0964; 18.696 90; 114.458; 90 | 3018.3 | Kusz, Joachim; Spiering, Hartmut; Gütlich, Philipp X-ray structure study of the light-induced metastable states of the spin-crossover compound [Fe(mtz)6](BF4)2 Journal of Applied Crystallography, 2001, 34, 229 |
2300444 | CIF | C12 H24 B2 F8 Fe N24 | P 1 21/n 1 | 17.4887; 10.0914; 18.517 90; 115.243; 90 | 2955.9 | Kusz, Joachim; Spiering, Hartmut; Gütlich, Philipp X-ray structure study of the light-induced metastable states of the spin-crossover compound [Fe(mtz)6](BF4)2 Journal of Applied Crystallography, 2001, 34, 229 |
2300445 | CIF | C12 H24 B2 F8 Fe N24 | P 1 21/n 1 | 17.207; 10.214; 18.406 90; 113.912; 90 | 2957.2 | Kusz, Joachim; Spiering, Hartmut; Gütlich, Philipp X-ray structure study of the light-induced metastable states of the spin-crossover compound [Fe(mtz)6](BF4)2 Journal of Applied Crystallography, 2001, 34, 229 |
2300446 | CIF Paper | Al18.5 Co7.75 Ni0 | P n m m :2 | 23.201; 32.31; 4.103 90; 90; 90 | 3075.7 | Singh, Devinder; Yun, Yifeng; Wan, Wei; Grushko, Benjamin; Zou, Xiaodong; Hovmöller, Sven A complex pseudo-decagonal quasicrystal approximant, Al~37~(Co,Ni)~15.5~, solved by rotation electron diffraction Journal of Applied Crystallography, 2014, 47, 215-221 |
2300447 | CIF | Li1.99 Mn1.01 O3 | C 1 2/m 1 | 4.9246; 8.5216; 5.0245 90; 109.398; 90 | 198.886 | Massarotti, V.; Bini, M.; Capsoni, D.; Altomare, A.; Moliterni, A. G. G. Ab initio structure determination of Li~2~MnO~3~ from X-ray powder diffraction data Journal of Applied Crystallography, 1997, 30, 123-127 |
2300448 | CIF HKL Paper | Al2 O3 | R -3 c :H | 4.758152; 4.758152; 12.9897 90; 90; 120 | 254.687 | Schreyer, Martin; Guo, Liangfeng; Thirunahari, Satyanarayana; Gao, Feng; Garland, Marc Simultaneous determination of several crystal structures from powder mixtures: the combination of powder X-ray diffraction, band-target entropy minimization and Rietveld methods Journal of Applied Crystallography, 2014, 47, 659-667 |
2300449 | CIF HKL Paper | Ca F2 | F m -3 m | 5.463209; 5.463209; 5.463209 90; 90; 90 | 163.059 | Schreyer, Martin; Guo, Liangfeng; Thirunahari, Satyanarayana; Gao, Feng; Garland, Marc Simultaneous determination of several crystal structures from powder mixtures: the combination of powder X-ray diffraction, band-target entropy minimization and Rietveld methods Journal of Applied Crystallography, 2014, 47, 659-667 |
2300450 | CIF HKL Paper | O Zn | P 63 m c | 3.249308; 3.249308; 5.205709 90; 90; 120 | 47.5984 | Schreyer, Martin; Guo, Liangfeng; Thirunahari, Satyanarayana; Gao, Feng; Garland, Marc Simultaneous determination of several crystal structures from powder mixtures: the combination of powder X-ray diffraction, band-target entropy minimization and Rietveld methods Journal of Applied Crystallography, 2014, 47, 659-667 |
2300451 | CIF Paper | C12 H18 N2 O3 S | P n a 21 | 20.31875; 7.84999; 9.10539 90; 90; 90 | 1452.33 | Schreyer, Martin; Guo, Liangfeng; Thirunahari, Satyanarayana; Gao, Feng; Garland, Marc Simultaneous determination of several crystal structures from powder mixtures: the combination of powder X-ray diffraction, band-target entropy minimization and Rietveld methods Journal of Applied Crystallography, 2014, 47, 659-667 |
2300452 | CIF Paper | C12 H18 N2 O3 S | P 1 c 1 | 9.16849; 17.181; 18.1517 90; 96.6067; 90 | 2840.3 | Schreyer, Martin; Guo, Liangfeng; Thirunahari, Satyanarayana; Gao, Feng; Garland, Marc Simultaneous determination of several crystal structures from powder mixtures: the combination of powder X-ray diffraction, band-target entropy minimization and Rietveld methods Journal of Applied Crystallography, 2014, 47, 659-667 |
2300453 | CIF HKL Paper | C12 H18 N2 O3 S | P 1 21/n 1 | 11.80943; 9.06147; 13.99082 90; 104.584; 90 | 1448.93 | Schreyer, Martin; Guo, Liangfeng; Thirunahari, Satyanarayana; Gao, Feng; Garland, Marc Simultaneous determination of several crystal structures from powder mixtures: the combination of powder X-ray diffraction, band-target entropy minimization and Rietveld methods Journal of Applied Crystallography, 2014, 47, 659-667 |
2300454 | CIF HKL Paper | C2 H5 N O2 | P 1 21/c 1 | 5.10422; 11.97177; 5.93652 90; 121.264; 90 | 310.081 | Schreyer, Martin; Guo, Liangfeng; Thirunahari, Satyanarayana; Gao, Feng; Garland, Marc Simultaneous determination of several crystal structures from powder mixtures: the combination of powder X-ray diffraction, band-target entropy minimization and Rietveld methods Journal of Applied Crystallography, 2014, 47, 659-667 |
2300455 | CIF Paper | C8 H9 N O2 | P 1 21/n 1 | 11.71439; 9.38544; 7.10166 90; 82.5879; 90 | 774.27 | Schreyer, Martin; Guo, Liangfeng; Thirunahari, Satyanarayana; Gao, Feng; Garland, Marc Simultaneous determination of several crystal structures from powder mixtures: the combination of powder X-ray diffraction, band-target entropy minimization and Rietveld methods Journal of Applied Crystallography, 2014, 47, 659-667 |
2300456 | CIF HKL Paper | C12 H24 O12 | P 1 21 1 | 7.77208; 21.58192; 4.8172 90; 74.0609; 90 | 776.95 | Schreyer, Martin; Guo, Liangfeng; Thirunahari, Satyanarayana; Gao, Feng; Garland, Marc Simultaneous determination of several crystal structures from powder mixtures: the combination of powder X-ray diffraction, band-target entropy minimization and Rietveld methods Journal of Applied Crystallography, 2014, 47, 659-667 |
2300457 | CIF Paper | Ba0.41 Mo O4 Sr0.59 | I 41/a :2 | 5.50729; 5.50729; 12.4789 90; 90; 90 | 378.488 | Nogueira, I. C.; Cavalcante, L. S.; Pereira, P. F. S.; de Jesus, M. M.; Rivas Mercury, J. M.; Batista, N. C.; Li, M. Siu; Longo, E. Rietveld refinement, morphology and optical properties of (Ba~1{-~<i>x</i>}Sr<i>~x~</i>)MoO~4~ crystals Journal of Applied Crystallography, 2013, 46, 1434-1446 |
2300458 | CIF Paper | Ba0.73 Mo O4 Sr0.27 | I 41/a :2 | 5.54906; 5.54906; 12.66803 90; 90; 90 | 390.075 | Nogueira, I. C.; Cavalcante, L. S.; Pereira, P. F. S.; de Jesus, M. M.; Rivas Mercury, J. M.; Batista, N. C.; Li, M. Siu; Longo, E. Rietveld refinement, morphology and optical properties of (Ba~1{-~<i>x</i>}Sr<i>~x~</i>)MoO~4~ crystals Journal of Applied Crystallography, 2013, 46, 1434-1446 |
2300459 | CIF Paper | Ba Mo O4 | I 41/a :2 | 5.584828; 5.584828; 12.82922 90; 90; 90 | 400.147 | Nogueira, I. C.; Cavalcante, L. S.; Pereira, P. F. S.; de Jesus, M. M.; Rivas Mercury, J. M.; Batista, N. C.; Li, M. Siu; Longo, E. Rietveld refinement, morphology and optical properties of (Ba~1{-~<i>x</i>}Sr<i>~x~</i>)MoO~4~ crystals Journal of Applied Crystallography, 2013, 46, 1434-1446 |
2300460 | CIF Paper | Mo O4 Sr | I 41/a :2 | 5.402647; 5.402647; 12.04112 90; 90; 90 | 351.463 | Nogueira, I. C.; Cavalcante, L. S.; Pereira, P. F. S.; de Jesus, M. M.; Rivas Mercury, J. M.; Batista, N. C.; Li, M. Siu; Longo, E. Rietveld refinement, morphology and optical properties of (Ba~1{-~<i>x</i>}Sr<i>~x~</i>)MoO~4~ crystals Journal of Applied Crystallography, 2013, 46, 1434-1446 |
2300461 | CIF Paper | Ba0.19 Mo O4 Sr0.81 | I 41/a :2 | 5.45711; 5.45711; 12.25476 90; 90; 90 | 364.947 | Nogueira, I. C.; Cavalcante, L. S.; Pereira, P. F. S.; de Jesus, M. M.; Rivas Mercury, J. M.; Batista, N. C.; Li, M. Siu; Longo, E. Rietveld refinement, morphology and optical properties of (Ba~1{-~<i>x</i>}Sr<i>~x~</i>)MoO~4~ crystals Journal of Applied Crystallography, 2013, 46, 1434-1446 |
2300462 | CIF HKL | Ag5 Mg33 | P b c m | 8.87; 16.48; 19.48 90; 90; 90 | 2847.54 | Samuha, Shmuel; Krimer, Yaakov; Meshi, Louisa Strategies for full structure solution of intermetallic compounds using precession electron diffraction zonal data Journal of Applied Crystallography, 2014, 47, 1032-1041 |
2300463 | CIF HKL Paper | C7 H8 F N3 S | P 1 21/c 1 | 11.947; 5.5093; 12.4564 90; 91.712; 90 | 819.51 | Tan, Seng Lim; Ng, Seik Weng Does the size of a crystal matter in an X-ray crystal structure analysis of a small molecule? Journal of Applied Crystallography, 2014, 47, 1443-1444 |
2300464 | CIF HKL Paper | C7 H8 F N3 S | P 1 21/c 1 | 11.9525; 5.5111; 12.4566 90; 91.699; 90 | 820.17 | Tan, Seng Lim; Ng, Seik Weng Does the size of a crystal matter in an X-ray crystal structure analysis of a small molecule? Journal of Applied Crystallography, 2014, 47, 1443-1444 |
2300465 | CIF HKL Paper | C7 H8 F N3 S | P 1 21/c 1 | 11.9359; 5.5005; 12.4375 90; 91.776; 90 | 816.17 | Tan, Seng Lim; Ng, Seik Weng Does the size of a crystal matter in an X-ray crystal structure analysis of a small molecule? Journal of Applied Crystallography, 2014, 47, 1443-1444 |
2300466 | CIF HKL Paper | C7 H8 F N3 S | P 1 21/c 1 | 11.9533; 5.5087; 12.4688 90; 91.699; 90 | 820.67 | Tan, Seng Lim; Ng, Seik Weng Does the size of a crystal matter in an X-ray crystal structure analysis of a small molecule? Journal of Applied Crystallography, 2014, 47, 1443-1444 |
2300467 | CIF HKL Paper | C20 H15 Br | P 21 21 21 | 5.613; 8.5301; 31.4348 90; 90; 90 | 1505.08 | Tan, Seng Lim; Ng, Seik Weng Does the size of a crystal matter in an X-ray crystal structure analysis of a small molecule? Journal of Applied Crystallography, 2014, 47, 1443-1444 |
2300468 | CIF HKL Paper | C20 H15 Br | P 21 21 21 | 5.6011; 8.5219; 31.4741 90; 90; 90 | 1502.32 | Tan, Seng Lim; Ng, Seik Weng Does the size of a crystal matter in an X-ray crystal structure analysis of a small molecule? Journal of Applied Crystallography, 2014, 47, 1443-1444 |
2300469 | CIF HKL Paper | C20 H15 Br | P 21 21 21 | 5.6104; 8.5238; 31.496 90; 90; 90 | 1506.2 | Tan, Seng Lim; Ng, Seik Weng Does the size of a crystal matter in an X-ray crystal structure analysis of a small molecule? Journal of Applied Crystallography, 2014, 47, 1443-1444 |
2300470 | CIF HKL Paper | C20 H15 Br | P 21 21 21 | 5.6112; 8.5333; 31.4392 90; 90; 90 | 1505.37 | Tan, Seng Lim; Ng, Seik Weng Does the size of a crystal matter in an X-ray crystal structure analysis of a small molecule? Journal of Applied Crystallography, 2014, 47, 1443-1444 |
2300471 | CIF HKL Paper | C20 H26 Cu N8 O16 | C 1 2/c 1 | 23.0024; 8.9753; 12.3386 90; 98.041; 90 | 2522.3 | Tan, Seng Lim; Ng, Seik Weng Does the size of a crystal matter in an X-ray crystal structure analysis of a small molecule? Journal of Applied Crystallography, 2014, 47, 1443-1444 |
2300472 | CIF HKL Paper | C20 H26 Cu N8 O16 | C 1 2/c 1 | 23.0151; 8.9752; 12.3404 90; 98.108; 90 | 2523.62 | Tan, Seng Lim; Ng, Seik Weng Does the size of a crystal matter in an X-ray crystal structure analysis of a small molecule? Journal of Applied Crystallography, 2014, 47, 1443-1444 |
2300473 | CIF HKL Paper | C20 H26 Cu N8 O16 | C 1 2/c 1 | 23.0144; 8.9745; 12.3423 90; 98.069; 90 | 2524 | Tan, Seng Lim; Ng, Seik Weng Does the size of a crystal matter in an X-ray crystal structure analysis of a small molecule? Journal of Applied Crystallography, 2014, 47, 1443-1444 |
2300474 | CIF HKL Paper | C20 H26 Cu N8 O16 | C 1 2/c 1 | 23.0253; 8.9728; 12.3325 90; 98.12; 90 | 2522.4 | Tan, Seng Lim; Ng, Seik Weng Does the size of a crystal matter in an X-ray crystal structure analysis of a small molecule? Journal of Applied Crystallography, 2014, 47, 1443-1444 |
2300475 | CIF HKL Paper | C28 H25 Cl N2 O Sn | C 1 2/c 1 | 15.5966; 16.1294; 20.4387 90; 108.891; 90 | 4864.7 | Tan, Seng Lim; Ng, Seik Weng Does the size of a crystal matter in an X-ray crystal structure analysis of a small molecule? Journal of Applied Crystallography, 2014, 47, 1443-1444 |
2300476 | CIF HKL Paper | C28 H25 Cl N2 O Sn | C 1 2/c 1 | 15.5993; 16.1284; 20.4476 90; 108.849; 90 | 4868.6 | Tan, Seng Lim; Ng, Seik Weng Does the size of a crystal matter in an X-ray crystal structure analysis of a small molecule? Journal of Applied Crystallography, 2014, 47, 1443-1444 |
2300477 | CIF HKL Paper | C28 H25 Cl N2 O Sn | C 1 2/c 1 | 15.5742; 16.1161; 20.4181 90; 108.879; 90 | 4849.2 | Tan, Seng Lim; Ng, Seik Weng Does the size of a crystal matter in an X-ray crystal structure analysis of a small molecule? Journal of Applied Crystallography, 2014, 47, 1443-1444 |
2300478 | CIF HKL Paper | C28 H25 Cl N2 O Sn | C 1 2/c 1 | 15.5844; 16.112; 20.4375 90; 108.872; 90 | 4855.9 | Tan, Seng Lim; Ng, Seik Weng Does the size of a crystal matter in an X-ray crystal structure analysis of a small molecule? Journal of Applied Crystallography, 2014, 47, 1443-1444 |
2300479 | CIF HKL Paper | C3 H9 N5 O6 Pb S | P 1 21/n 1 | 5.3641; 13.8966; 14.2315 90; 100.132; 90 | 1044.31 | Tan, Seng Lim; Ng, Seik Weng Does the size of a crystal matter in an X-ray crystal structure analysis of a small molecule? Journal of Applied Crystallography, 2014, 47, 1443-1444 |
2300480 | CIF HKL Paper | C3 H9 N5 O6 Pb S | P 1 21/n 1 | 5.346; 13.8593; 14.1995 90; 100.138; 90 | 1035.64 | Tan, Seng Lim; Ng, Seik Weng Does the size of a crystal matter in an X-ray crystal structure analysis of a small molecule? Journal of Applied Crystallography, 2014, 47, 1443-1444 |
2300481 | CIF HKL Paper | C3 H9 N5 O6 Pb S | P 1 21/n 1 | 5.3522; 13.8783; 14.2186 90; 100.048; 90 | 1039.95 | Tan, Seng Lim; Ng, Seik Weng Does the size of a crystal matter in an X-ray crystal structure analysis of a small molecule? Journal of Applied Crystallography, 2014, 47, 1443-1444 |
2300482 | CIF HKL Paper | C3 H9 N5 O6 Pb S | P 1 21/n 1 | 5.3522; 13.8826; 14.2217 90; 100.075; 90 | 1040.41 | Tan, Seng Lim; Ng, Seik Weng Does the size of a crystal matter in an X-ray crystal structure analysis of a small molecule? Journal of Applied Crystallography, 2014, 47, 1443-1444 |
2300483 | CIF HKL Paper | C34 H34 Cl2 F12 N4 O3 | P 42/n :2 | 24.5663; 24.5663; 6.38601 90; 90; 90 | 3853.98 | Mendes do Prado, Vânia; Cardoso Seiceira, Rafael; Pitaluga Jr, Altivo; Andrade-Filho, Tarciso; Andrade Alves, Wendel; Reily Rocha, Alexandre; Furlan Ferreira, Fabio Elucidating the crystal structure of the antimalarial drug (±)-mefloquine hydrochloride: a tetragonal hydrated species Journal of Applied Crystallography, 2014, 47, 1380-1386 |
2300484 | CIF HKL Paper | F3 Na Ni | C m c m | 3.0294; 10.0534; 7.3938 90; 90; 90 | 225.18 | Lindsay-Scott, Alex; Dobson, David; Nestola, Fabrizio; Alvaro, Matteo; Casati, Nicola; Liebske, Christian; Knight, Kevin S.; Smith, Ronald I.; Wood, Ian G. Time-of-flight neutron powder diffraction with milligram samples: the crystal structures of NaCoF~3~ and NaNiF~3~ post-perovskites Journal of Applied Crystallography, 2014, 47, 1939-1947 |
2300485 | CIF HKL Paper | Pt7 Sc4 Si2 | P b a m | 6.462; 16.147; 3.988 90; 90; 90 | 416.1 | Krause, Lennard; Herbst-Irmer, Regine; Sheldrick, George M.; Stalke, Dietmar Comparison of silver and molybdenum microfocus X-ray sources for single-crystal structure determination Journal of Applied Crystallography, 2015, 48 |
2300486 | CIF HKL Paper | Pt7 Sc4 Si2 | P b a m | 6.447; 16.121; 3.982 90; 90; 90 | 413.9 | Krause, Lennard; Herbst-Irmer, Regine; Sheldrick, George M.; Stalke, Dietmar Comparison of silver and molybdenum microfocus X-ray sources for single-crystal structure determination Journal of Applied Crystallography, 2015, 48 |
2300487 | CIF HKL Paper | Br0.09 Cl0.91 Cu6 O8 Pb | F m -3 m | 9.216; 9.216; 9.216 90; 90; 90 | 782.8 | Krause, Lennard; Herbst-Irmer, Regine; Sheldrick, George M.; Stalke, Dietmar Comparison of silver and molybdenum microfocus X-ray sources for single-crystal structure determination Journal of Applied Crystallography, 2015, 48 |
2300488 | CIF Paper | Br0.1 Cl0.9 Cu6 O8 Pb | F m -3 m | 9.2164; 9.2164; 9.2164 90; 90; 90 | 782.86 | Krause, Lennard; Herbst-Irmer, Regine; Sheldrick, George M.; Stalke, Dietmar Comparison of silver and molybdenum microfocus X-ray sources for single-crystal structure determination Journal of Applied Crystallography, 2015, 48 |
2300489 | CIF HKL Paper | H4 Na2 O6 W | P b c a | 8.439; 10.559; 13.807 90; 90; 90 | 1230.3 | Krause, Lennard; Herbst-Irmer, Regine; Sheldrick, George M.; Stalke, Dietmar Comparison of silver and molybdenum microfocus X-ray sources for single-crystal structure determination Journal of Applied Crystallography, 2015, 48 |
2300490 | CIF HKL Paper | H4 Na2 O6 W | P b c a | 8.442; 10.569; 13.816 90; 90; 90 | 1232.7 | Krause, Lennard; Herbst-Irmer, Regine; Sheldrick, George M.; Stalke, Dietmar Comparison of silver and molybdenum microfocus X-ray sources for single-crystal structure determination Journal of Applied Crystallography, 2015, 48 |
2300491 | CIF HKL Paper | C4 Co Sc3 | I m m m | 3.394; 4.374; 11.995 90; 90; 90 | 178.07 | Krause, Lennard; Herbst-Irmer, Regine; Sheldrick, George M.; Stalke, Dietmar Comparison of silver and molybdenum microfocus X-ray sources for single-crystal structure determination Journal of Applied Crystallography, 2015, 48 |
2300492 | CIF HKL Paper | C4 Co Sc3 | I m m m | 3.398; 4.377; 12.003 90; 90; 90 | 178.52 | Krause, Lennard; Herbst-Irmer, Regine; Sheldrick, George M.; Stalke, Dietmar Comparison of silver and molybdenum microfocus X-ray sources for single-crystal structure determination Journal of Applied Crystallography, 2015, 48 |
2300493 | CIF HKL Paper | C16 H13 Br2 N | P 1 21/n 1 | 9.601; 8.377; 17.201 90; 97.35; 90 | 1372.1 | Krause, Lennard; Herbst-Irmer, Regine; Sheldrick, George M.; Stalke, Dietmar Comparison of silver and molybdenum microfocus X-ray sources for single-crystal structure determination Journal of Applied Crystallography, 2015, 48 |
2300494 | CIF Paper | C16 H13 Br2 N | P 1 21/n 1 | 9.599; 8.378; 17.194 90; 97.32; 90 | 1371.5 | Krause, Lennard; Herbst-Irmer, Regine; Sheldrick, George M.; Stalke, Dietmar Comparison of silver and molybdenum microfocus X-ray sources for single-crystal structure determination Journal of Applied Crystallography, 2015, 48 |
2300495 | CIF HKL Paper | C30 H46 Br2 Cl2 Co N4 Si2 | P 1 21/n 1 | 18.568; 9.504; 21.378 90; 102.95; 90 | 3676.6 | Krause, Lennard; Herbst-Irmer, Regine; Sheldrick, George M.; Stalke, Dietmar Comparison of silver and molybdenum microfocus X-ray sources for single-crystal structure determination Journal of Applied Crystallography, 2015, 48 |
2300496 | CIF HKL Paper | C30 H46 Br2 Cl2 Co N4 Si2 | P 1 21/n 1 | 18.588; 9.518; 21.403 90; 102.95; 90 | 3690.3 | Krause, Lennard; Herbst-Irmer, Regine; Sheldrick, George M.; Stalke, Dietmar Comparison of silver and molybdenum microfocus X-ray sources for single-crystal structure determination Journal of Applied Crystallography, 2015, 48 |
2300497 | CIF HKL | Bi1.09 Ge2.37 Te4 | F m -3 m | 6.055; 6.055; 6.055 90; 90; 90 | 221.99 | Urban, Philipp; Simonov, Arkadiy; Weber, Thomas; Oeckler, Oliver Real structure of Ge4Bi2Te7: refinement on diffuse scattering data with the 3D-ΔPDF method Journal of Applied Crystallography, 2015, 48, 200 |
2300498 | CIF Paper | K0.5 Na0.5 Nb O3 | R 3 m :H | 5.6085; 5.6085; 6.9183 90; 90; 120 | 188.46 | Orayech, B.; Faik, A.; López, G. A.; Fabelo, O.; Igartua, J. M. Mode-crystallography analysis of the crystal structures and the low- and high-temperature phase transitions in Na~0.5~K~0.5~NbO~3~ Journal of Applied Crystallography, 2015, 48 |
2300499 | CIF Paper | K0.5 Na0.5 Nb O3 | A m m 2 | 3.9443; 5.6425; 5.6763 90; 90; 90 | 126.33 | Orayech, B.; Faik, A.; López, G. A.; Fabelo, O.; Igartua, J. M. Mode-crystallography analysis of the crystal structures and the low- and high-temperature phase transitions in Na~0.5~K~0.5~NbO~3~ Journal of Applied Crystallography, 2015, 48 |
2300500 | CIF HKL Paper | C10 H16 N6 S | C 1 2/c 1 | 82.904; 4.85; 18.76 90; 74.34; 90 | 7263 | Arakcheeva, Alla; Pattison, Philip; Bauer-Brandl, Annette; Birkedal, Henrik; Chapuis, Gervais Cimetidine, C~10~H~16~N~6~S, form C: crystal structure and modelling of polytypes using the superspace approach Journal of Applied Crystallography, 2013, 46, 99-107 |
2300501 | CIF HKL | C7 H10 N2 O2 | C 1 2/c 1 | 17.822; 4.85; 19.783 90; 102.37; 90 | 1670.3 | Graiff, Claudia; Pontiroli, Daniele; Bergamonti, Laura; Cavallari, Chiara; Lottici, Pier Paolo; Predieri, Giovanni Structural investigation of <i>N</i>,<i>N</i>'-methylenebisacrylamide <i>via</i> X-ray diffraction assisted by crystal structure prediction Journal of Applied Crystallography, 2015, 48, 550-557 |
2300502 | CIF | C13 H15 Co N2 O7 | P 1 21/c 1 | 12.6105; 7.6858; 15.9256 90; 106.541; 90 | 1479.66 | Cox, Jordan M.; Walton, Ian M.; Benson, Cassidy A.; Chen, Yu-Sheng; Benedict, Jason B. A versatile environmental control cell for <i>in situ</i> guest exchange single-crystal diffraction Journal of Applied Crystallography, 2015, 48, 578-581 |
2300503 | CIF HKL | C42 H80 Br2 N2 O3 | C 1 2/c 1 | 54.695; 9.8891; 16.877 90; 92.628; 90 | 9118.9 | Chen, Qibin; Yao, Junyao; Hu, Xin; Shen, Jincheng; Sheng, Yujie; Liu, Honglai Monolayer effect of a gemini surfactant with a rigid biphenyl spacer on its self-crystallization at the air/liquid interface Journal of Applied Crystallography, 2015, 48 |
2300504 | CIF HKL | Mg Mo O4 | C 1 2/m 1 | 10.157; 9.246; 7.03 90; 105.9; 90 | 634.94 | Gemmi, Mauro; La Placa, Maria G. I.; Galanis, Athanassios S.; Rauch, Edgar F.; Nicolopoulos, Stavros Fast electron diffraction tomography Journal of Applied Crystallography, 2015, 48 |
2300505 | CIF HKL | C28 H26 N2 O4 | P 1 21/n 1 | 5.9038; 10.7455; 19.4895 90; 90.263; 90 | 1236.39 | Kong, Jianfei; Du, Jialei; Wang, Jiren; Chen, Zuofeng Supramolecular organic frameworks of a Schiff base showing selective guest adsorption Journal of Applied Crystallography, 2015, 48 |
2300506 | CIF HKL | C24 H22 Cl6 N2 O4 | P 1 21/n 1 | 6.8524; 11.9655; 17.3274 90; 99.678; 90 | 1400.5 | Kong, Jianfei; Du, Jialei; Wang, Jiren; Chen, Zuofeng Supramolecular organic frameworks of a Schiff base showing selective guest adsorption Journal of Applied Crystallography, 2015, 48 |
2300507 | CIF HKL | C26 H28 N2 O5 | P 1 21/c 1 | 13.2363; 11.765; 17.6353 90; 103.281; 90 | 2672.8 | Kong, Jianfei; Du, Jialei; Wang, Jiren; Chen, Zuofeng Supramolecular organic frameworks of a Schiff base showing selective guest adsorption Journal of Applied Crystallography, 2015, 48 |
2300508 | CIF HKL | C32 H28 N4 O4 | P 1 2/c 1 | 12.8209; 7.0395; 14.7623 90; 96.82; 90 | 1322.91 | Kong, Jianfei; Du, Jialei; Wang, Jiren; Chen, Zuofeng Supramolecular organic frameworks of a Schiff base showing selective guest adsorption Journal of Applied Crystallography, 2015, 48 |
2300509 | CIF HKL | C6 H9 N3 O6 | P n a 21 | 9.0136; 21.5; 4.7005 90; 90; 90 | 910.9 | Prasad, A. Aditya; Meenakshisundaram, S. P. Hydrogen-bonded supramolecular architecture in nonlinear optical ammonium 2,4-dinitrophenolate hydrate Journal of Applied Crystallography, 2015, 48 |
2300510 | CIF | F2 O2 Os | C 1 2/c 1 | 9.42; 4.491; 8.6 90; 117.5; 90 | 322.717 | Burbank, R.D. X-Ray Study of an Osmium Oxyfluoride of Unknown Composition Journal of Applied Crystallography, 1974, 7, 41-44 |
2300511 | CIF | K2.92 Li2 O30 Pb2.41 Ta10 | P 4/m b m | 12.5488; 12.5488; 3.9129 90; 90; 90 | 616.174 | Hornebecq, V.; Weill, F.; Elissalde, C.; Villesuzanne, A.; Menetrier, M.; Ravez, J. Study of disorder in a tetragonal tungsten bronze ferroelectric relaxor: a structural approach Journal of Applied Crystallography, 2000, 33, 1037-1045 |
2300512 | CIF | K1.46 Li O30 Pb3.67 Ta10 | P 4/m b m | 12.5159; 12.5159; 3.8947 90; 90; 90 | 610.096 | Hornebecq, V.; Elissalde, C.; Weill, F.; Villesuzanne, A.; Menetrier, M.; Ravez, J. Study of disorder in a tetragonal tungsten bronze ferroelectric relaxor: a structural approach Journal of Applied Crystallography, 2000, 33, 1037-1045 |
2300513 | CIF HKL | C32 H39 N O2 | P 1 21/c 1 | 16.589; 10.9575; 16.6795 90; 113.623; 90 | 2777.8 | Sharma, Ranjana; Prasher, Dixit; Tiwari, R. K. Crystal structure analysis of ebastine [4-(4-benzhydryloxy-1-piperidyl)-1-(4-<i>tert</i>-butylphenyl) butan-1-one]: an oral histamine antagonist Journal of Applied Crystallography, 2015, 48 |
2300514 | CIF | Te U | P m -3 m | 3.765; 3.765; 3.765 90; 90; 90 | 53.37 | Gerward, L.; Olsen, J.S.; Dabos-Seignon, S.; Benedict, U.; Steenstrup, S. The pressure-induced transformation B1 to B2 in actinide compounds Journal of Applied Crystallography, 1990, 23, 515-519 |
2300515 | CIF | Ir0.94 Mo3.06 | P m -3 n | 4.958; 4.958; 4.958 90; 90; 90 | 121.876 | Koksbang, R.; Rasmussen, S.E.; Hazell, R.G. Critical temperatures of superconductivity and neutron diffraction studies at 293 and at 10 K of Mo-Ir single crystal of A15 structure Journal of Applied Crystallography, 1989, 22, 23-25 |
2300516 | CIF | D15 Th4 | I -4 3 d | 9.11; 9.11; 9.11 90; 90; 90 | 756.058 | Mueller, M.H.; Caton, R.; Beyerlein, R.A.; Brun, T.O.; Jorgensen, J.D.; Satterthwaite, C.B. Structure of Th4 D15 from measurement at the argonne ZING-P pulsed neutron source Journal of Applied Crystallography, 1977, 10, 79-83 |
2300517 | CIF | Tl | F m -3 m | 4.33; 4.33; 4.33 90; 90; 90 | 81.183 | Olsen, J.S.; Steenstrup, S.; Geward, L.; Johnson, E. A high-pressure study of thallium Journal of Applied Crystallography, 1994, 27, 1002-1005 |
2300518 | CIF | Tl | P 63/m m c | 3.463; 3.463; 5.539 90; 90; 120 | 57.526 | Olsen, J.S.; Johnson, E.; Geward, L.; Steenstrup, S. A high-pressure study of thallium Journal of Applied Crystallography, 1994, 27, 1002-1005 |
2300519 | CIF | Ag0.842 Al0.158 | F m -3 m | 4.0692; 4.0692; 4.0692 90; 90; 90 | 67.379 | Pradhan, S.K.; De, M. An X-ray determination of the thermal expansion of alpha-phase Ag-Al alloys at high temperatures Journal of Applied Crystallography, 1986, 19, 484-485 |
2300520 | CIF | Os2 Pu | F d -3 m :1 | 7.53; 7.53; 7.53 90; 90; 90 | 426.958 | Roof, R.B.jr. Crystal data of two polymorphic forms of Pu Os2 Journal of Applied Crystallography, 1975, 8, 687-688 |
2300521 | CIF | Cu2 Mn Sn | F m -3 m | 6.176; 6.176; 6.176 90; 90; 90 | 235.571 | Meyers, M.A.; Ruud, C.O.; Barrett, C.S. Observations on the ferromagnetic beta-phase of the Cu - Mn - Sn system Journal of Applied Crystallography, 1973, 6, 39-41 |
2300522 | CIF | Nb Te4 | P 4/m c c | 6.3616; 6.3616; 6.837 90; 90; 90 | 276.693 | Dusek, M.; Petricek, V.; Dinnebier, R.E.; Wunschel, M.; van Smaalen, S. Refinement of modulated structures against X-ray powder diffraction data with JANA2000 Journal of Applied Crystallography, 2001, 34, 398-404 |
2300523 | CIF | Ti0.04 U0.96 | C m c m | 2.861; 5.8234; 4.9736 90; 90; 90 | 82.864 | Choi, C.S.; Prask, H.J. Neutron difraction studies of two uranium-0.75 wt.% titanium alloys Journal of Applied Crystallography, 1985, 18, 141-144 |
2300524 | CIF | Cl O4 P Sn2 | A m a 2 | 13.52; 8.673; 4.74 90; 90; 90 | 555.807 | Berndt, A.F.; Sylvester, J.M. Crystal data on tin(II) phosphate chloride, Sn2 P O4 Cl Journal of Applied Crystallography, 1972, 5, 248-249 |
2300525 | CIF | Ni2.62 O4 Ti0.69 | F d -3 m :2 | 8.3416; 8.3416; 8.3416 90; 90; 90 | 580.428 | Lager, G.A.; Armbruster, T.; Rotella, F.J.; Ross, F.K.; Jorgensen, J.D. Neutron poeder diffraction study of defect spinel structures: Tetrahedrally coordinated Ti4+ in Ni2.62 Ti0.69 O4 and Ni2.42 Ti0.74 Si0.05 O4 Journal of Applied Crystallography, 1981, 14, 261-264 |
2300526 | CIF | Ni2.42 O4 Si0.05 Ti0.65 | F d -3 m :2 | 8.3222; 8.3222; 8.3222 90; 90; 90 | 576.387 | Lager, G.A.; Rotella, F.J.; Ross, F.K.; Armbruster, T.; Jorgensen, J.D. Neutron powder diffraction study of defect spinel structures: Tetrahedrally coordinated Ti4+ in Ni2.62 Ti0.69 O4 and Ni2.42 Ti0.74 Si0.05 O4 Journal of Applied Crystallography, 1981, 14, 261-264 |
2300527 | CIF | Fe0.9 O8 P2 Zn2.1 | P 1 21/n 1 | 7.558; 8.536; 5.042 90; 95.4; 90 | 323.841 | Nord, A.G. Use of the Rietveld technique for estimating cation distributions Journal of Applied Crystallography, 1984, 17, 55-60 |
2300528 | CIF | C Ag N S | P m n n | 4.083; 7.043; 11.219 90; 90; 90 | 322.62 | Smith, D.L.; Maskasky, J.E.; Spaulding, L.R. Polymorphism in silver thiocyanate. Preparation of a new phase and its characterization by X-ray powder diffraction Journal of Applied Crystallography, 1982, 15, 488-492 |
2300529 | CIF | N2 O Si2 | C m c 21 | 8.847; 5.452; 4.824 90; 90; 90 | 232.68 | Srinivasa, S.R.; Jorgensen, J.D.; Cartz, L.; Worlton, T.G.; Beyerlein, R.A.; Billy, M. High-pressure neutron diffraction study of Si2 N2 O Journal of Applied Crystallography, 1977, 10, 167-171 |
2300530 | CIF | P3 Ta5 | P n m a | 25.321; 3.4013; 11.4614 90; 90; 90 | 987.105 | Thomas, J.O.; Ersson, N.O.; Andersson, Y. An X-Ray film powder profile refinement of the crystal structure of Ta5 P3 Journal of Applied Crystallography, 1980, 13, 605-607 |
2300531 | CIF | Er2 O3 | I a -3 | 10.54504; 10.54504; 10.54504 90; 90; 90 | 1172.59 | Heiba, Z.; Okuyucu, H.; Hascicek, Y.S. X-ray structure determination of the rare earth oxides (Er1-u Gdu)2 O3 applying the Rietveld method Journal of Applied Crystallography, 2002, 35, 577-580 |
2300532 | CIF | Er1.6 Gd0.4 O3 | I a -3 | 10.6511; 10.6511; 10.6511 90; 90; 90 | 1208.32 | Heiba, Z.; Okuyucu, H.; Hascicek, Y.S. X-ray structure determination of the rare earth oxides (Er1-u Gdu)2 O3 applying the Rietveld method Journal of Applied Crystallography, 2002, 35, 577-580 |
2300533 | CIF | Er Gd O3 | I a -3 | 10.73652; 10.73652; 10.73652 90; 90; 90 | 1237.63 | Heiba, Z.; Okuyucu, H.; Hascicek, Y.S. X-ray structure determination of the rare earth oxides (Er1-u Gdu)2 O3 applying the Rietveld method Journal of Applied Crystallography, 2002, 35, 577-580 |
2300534 | CIF | Er0.4 Gd1.6 O3 | I a -3 | 10.7911; 10.7911; 10.7911 90; 90; 90 | 1256.6 | Heiba, Z.; Okuyucu, H.; Hascicek, Y.S. X-ray structure determination of the rare earth oxides (Er1-u Gdu)2 O3 applying the Rietveld method Journal of Applied Crystallography, 2002, 35, 577-580 |
2300535 | CIF | Li2 O3 Zr | C 1 2/c 1 | 5.4089; 9.0309; 5.4144 90; 112.498; 90 | 244.35 | Heiba, Z.K.; El Sayed, K. Structural and anisotropic thermal expansion correlation of Li2 Zr O3 at different temperatures Journal of Applied Crystallography, 2002, 35, 634-636 |
2300536 | CIF | Eu2 O3 | I a -3 | 10.86831; 10.86831; 10.86831 90; 90; 90 | 1283.77 | Heiba, Z.K.; Akin, Y.; Sigmund, W.; Hascicek, Y.S. X-ray structure and microstructure determination of the mixed sesquioxides (Eu1-x Ybx)2 O3 prepared by a sol-gel process Journal of Applied Crystallography, 2003, 36, 1411-1416 |
2300537 | CIF | Eu1.8 O3 Yb0.2 | I a -3 | 10.81718; 10.81718; 10.81718 90; 90; 90 | 1265.73 | Heiba, Z.K.; Akin, Y.; Hascicek, Y.S.; Sigmund, W. X-ray structure and microstructure determination of the mixed sesquioxides (Eu1-x Ybx)2 O3 prepared by a sol-gel process Journal of Applied Crystallography, 2003, 36, 1411-1416 |
2300538 | CIF | Eu1.6 O3 Yb0.4 | I a -3 | 10.76778; 10.76778; 10.76778 90; 90; 90 | 1248.47 | Heiba, Z.K.; Akin, Y.; Hascicek, Y.S.; Sigmund, W. X-ray structure and microstructure determination of the mixed sesquioxides (Eu1-x Ybx)2 O3 prepared by a sol-gel process Journal of Applied Crystallography, 2003, 36, 1411-1416 |
2300539 | CIF | Eu O3 Yb | I a -3 | 10.62842; 10.62842; 10.62842 90; 90; 90 | 1200.62 | Heiba, Z.K.; Akin, Y.; Sigmund, W.; Hascicek, Y.S. X-ray structure and microstructure determination of the mixed sesquioxides (Eu1-x Ybx)2 O3 prepared by a sol-gel process Journal of Applied Crystallography, 2003, 36, 1411-1416 |
2300540 | CIF | Eu0.4 O3 Yb1.6 | I a -3 | 10.49964; 10.49964; 10.49964 90; 90; 90 | 1157.51 | Heiba, Z.K.; Akin, Y.; Sigmund, W.; Hascicek, Y.S. X-ray structure and microstructure determination of the mixed sesquioxides (Eu1-x Ybx)2 O3 prepared by a sol-gel process Journal of Applied Crystallography, 2003, 36, 1411-1416 |
2300541 | CIF | Eu0.2 O3 Yb1.8 | I a -3 | 10.46596; 10.46596; 10.46596 90; 90; 90 | 1146.4 | Heiba, Z.K.; Hascicek, Y.S.; Akin, Y.; Sigmund, W. X-ray structure and microstructure determination of the mixed sesquioxides (Eu1-x Ybx)2 O3 prepared by a sol-gel process Journal of Applied Crystallography, 2003, 36, 1411-1416 |
2300542 | CIF | O3 Yb2 | I a -3 | 10.42828; 10.42828; 10.42828 90; 90; 90 | 1134.06 | Heiba, Z.K.; Akin, Y.; Sigmund, W.; Hascicek, Y.S. X-ray structure and microstructure determination of the mixed sesquioxides (Eu1-x Ybx)2 O3 prepared by a sol-gel process Journal of Applied Crystallography, 2003, 36, 1411-1416 |
2300543 | CIF | Bi2 O9 Sr Ta2 | A 21 a m | 5.5186; 5.52; 25.0485 90; 90; 90 | 763.044 | Muller, C.; Jacob, F.; Gagou, Y.; Elkaim, E. Cationic disorder, microstructure and dielectric response of ferroelectric SBT ceramics Journal of Applied Crystallography, 2003, 36, 880-889 |
2300544 | CIF | O2 Zr | P 1 21/c 1 | 5.1487; 5.2023; 5.3231 90; 99.164; 90 | 140.76 | Winterer, M.; Delaplane, R.; McGreevy, R. X-ray diffraction, neutron scattering and EXAFS spectroscopy of monoclinic zirconia: analysis by Rietveld refinement and reverse Monte Carlo simulations Journal of Applied Crystallography, 2002, 35, 434-442 |
2300545 | CIF | Al Ca O5 Ta | C 1 2/c 1 | 6.69648; 8.97659; 7.36705 90; 114.139; 90 | 404.121 | Malcherek, T.; Borowski, M.; Bosenick, A. Structure and phase transition of Ca Ta O Al O4 Journal of Applied Crystallography, 2004, 37, 117-122 |
2300546 | CIF | N0.81 V | P 42/n m c :1 | 8.115; 8.115; 8.115 90; 90; 90 | 534.399 | Onozuka, T. Vacancy Ordering in V N1-x Journal of Applied Crystallography, 1978, 11, 132-136 |
2300547 | CIF Paper | C10 H16 N6 S | P 1 2/c 1 (a,2*b,c) | 13.817; 4.85; 18.76 90; 74.34; 90 | 1210.5 | Arakcheeva, Alla; Pattison, Philip; Bauer-Brandl, Annette; Birkedal, Henrik; Chapuis, Gervais Cimetidine, C10H16N6S, form C: crystal structure and modelling of polytypes using the superspace approach Journal of Applied Crystallography, 2013, 46, 99 |
2300548 | CIF | As0.8 Pb0.2 Pd | P 63/m m c | 3.803; 3.803; 5.651 90; 90; 120 | 70.78 | Ellner, M.; Kattner, U.; Predel, B. Kristallstrukturdaten von Pd Pb0.2 As0.8 (m). Journal of Applied Crystallography, 1983, 16, 277-278 |
2300549 | CIF | Pu Sb | F m -3 m | 6.2375; 6.2375; 6.2375 90; 90; 90 | 242.679 | Gerward, L.; Olsen, J.S.; Steenstrup, S.; Benedict, U.; Dabos-Seignon, S. The pressure-induced transformation B1 to B2 in actinide compounds Journal of Applied Crystallography, 1990, 23, 515-519 |
2300550 | CIF | Pu Te | P m -3 m | 3.74; 3.74; 3.74 90; 90; 90 | 52.314 | Gerward, L.; Olsen, J.S.; Dabos-Seignon, S.; Steenstrup, S.; Benedict, U. The pressure-induced transformation B1 to B2 in actinide compounds Journal of Applied Crystallography, 1990, 23, 515-519 |
2300551 | CIF | Se U | F m -3 m | 5.757; 5.757; 5.757 90; 90; 90 | 190.805 | Gerward, L.; Dabos-Seignon, S.; Olsen, J.S.; Steenstrup, S.; Benedict, U. The pressure-induced transformation B1 to B2 in actinide compounds Journal of Applied Crystallography, 1990, 23, 515-519 |
2300552 | CIF | Hg In | R -3 m :H | 3.592; 3.592; 13.072 90; 90; 120 | 146.065 | Mascarenhas, Y.P. X-ray diffraction studies of the Hg-In alloy system Journal of Applied Crystallography, 1970, 3, 294-296 |
2300553 | CIF | P Th | F m -3 m | 5.827; 5.827; 5.827 90; 90; 90 | 197.85 | Staun Olsen, J.; Gerward, L.; Benedict, U.; Vogt, O.; Luo, H. Crystal structure and the equation of state of thorium monophosphide for pressures up to 50 GPa Journal of Applied Crystallography, 1989, 22, 61-63 |
2300554 | CIF | Hg4 Pt | I 4 3 2 | 6.2001; 6.2001; 6.2001 90; 90; 90 | 238.34 | Lahiri, S.K.; Angilello, J.; Natan, M. Precise lattice parameter determination of Pt Hg4 Journal of Applied Crystallography, 1982, 15, 100-101 |
2300555 | CIF | Si V3 | P m -3 n | 4.732; 4.732; 4.732 90; 90; 90 | 105.958 | Kitchingman, W.J.; Birch, A.; Tjong, S.C. The structure and properties of the vanadium-chromium-silicon alloys in the composition range V3 Si to Cr3 Si Journal of Applied Crystallography, 1979, 12, 473-475 |
2300556 | CIF | Cl H Ni O | R -3 m :H | 3.26061; 3.26061; 17.00619 90; 90; 120 | 156.58 | Bette, Sebastian; Dinnebier, Robert E.; Freyer, Daniela Structure solution and refinement of stacking-faulted NiCl(OH) Journal of Applied Crystallography, 2015, 48 |
2300557 | CIF HKL | C12 H22 O11 | P 1 21 1 | 7.763; 8.7109; 10.8701 90; 102.937; 90 | 716.407 | Dmitrienko, Artem O.; Bushmarinov, Ivan S. Reliable structural data from Rietveld refinements <i>via</i> restraint consistency Journal of Applied Crystallography, 2015, 48 |
2300558 | CIF | Ni Si | P n m a | 5.1731; 3.3381; 5.6049 90; 90; 90 | 96.79 | Lord, Oliver T.; Thomson, Andrew R.; Wann, Elizabeth T. H.; Wood, Ian G.; Dobson, David P.; Vocadlo, Lidunka The equation of state of the <i>Pmmn</i> phase of NiSi Journal of Applied Crystallography, 2015, 48, 1914-1920 |
2300559 | CIF HKL Paper | C28 H18 N2 | C 1 2/c 1 | 13.5559; 12.2134; 12.6643 90; 118.834; 90 | 1836.8 | Krause, Lennard; Herbst-Irmer, Regine; Stalke, Dietmar An empirical correction for the influence of low-energy contamination Journal of Applied Crystallography, 2015, 48, 1907-1913 |
2300560 | CIF HKL Paper | C28 H18 N2 | C 1 2/c 1 | 13.5537; 12.2132; 12.6619 90; 118.836; 90 | 1836.1 | Krause, Lennard; Herbst-Irmer, Regine; Stalke, Dietmar An empirical correction for the influence of low-energy contamination Journal of Applied Crystallography, 2015, 48, 1907-1913 |
2300561 | CIF HKL Paper | C28 H18 N2 | C 1 2/c 1 | 13.5559; 12.2134; 12.6643 90; 118.834; 90 | 1836.8 | Krause, Lennard; Herbst-Irmer, Regine; Stalke, Dietmar An empirical correction for the influence of low-energy contamination Journal of Applied Crystallography, 2015, 48, 1907-1913 |
2300562 | CIF HKL Paper | C12 H4 N4 | C 1 2/c 1 | 8.896; 6.913; 16.439 90; 98.29; 90 | 1000.4 | Krause, Lennard; Herbst-Irmer, Regine; Stalke, Dietmar An empirical correction for the influence of low-energy contamination Journal of Applied Crystallography, 2015, 48, 1907-1913 |
2300563 | CIF HKL Paper | C12 H4 N4 | C 1 2/c 1 | 8.884; 6.9036; 16.421 90; 98.241; 90 | 996.7 | Krause, Lennard; Herbst-Irmer, Regine; Stalke, Dietmar An empirical correction for the influence of low-energy contamination Journal of Applied Crystallography, 2015, 48, 1907-1913 |
2300564 | CIF HKL Paper | C12 H4 N4 | C 1 2/c 1 | 8.896; 6.913; 16.439 90; 98.29; 90 | 1000.4 | Krause, Lennard; Herbst-Irmer, Regine; Stalke, Dietmar An empirical correction for the influence of low-energy contamination Journal of Applied Crystallography, 2015, 48, 1907-1913 |
2300565 | CIF HKL Paper | C18 H17 Cu O6 | C 1 2/c 1 | 9.7935; 19.0055; 18.2997 90; 94.7996; 90 | 3394.2 | Krause, Lennard; Herbst-Irmer, Regine; Stalke, Dietmar An empirical correction for the influence of low-energy contamination Journal of Applied Crystallography, 2015, 48, 1907-1913 |
2300566 | CIF HKL Paper | C18 H17 Cu O6 | C 1 2/c 1 | 9.7936; 18.9973; 18.2982 90; 94.84; 90 | 3392.3 | Krause, Lennard; Herbst-Irmer, Regine; Stalke, Dietmar An empirical correction for the influence of low-energy contamination Journal of Applied Crystallography, 2015, 48, 1907-1913 |
2300567 | CIF HKL Paper | C18 H17 Cu O6 | C 1 2/c 1 | 9.7935; 19.0055; 18.2997 90; 94.7996; 90 | 3394.2 | Krause, Lennard; Herbst-Irmer, Regine; Stalke, Dietmar An empirical correction for the influence of low-energy contamination Journal of Applied Crystallography, 2015, 48, 1907-1913 |
2300568 | CIF HKL Paper | C34 H26 Mg N4 O4 | P 1 21/n 1 | 11.3068; 14.9595; 16.7252 90; 93.05; 90 | 2825 | Krause, Lennard; Herbst-Irmer, Regine; Stalke, Dietmar An empirical correction for the influence of low-energy contamination Journal of Applied Crystallography, 2015, 48, 1907-1913 |
2300569 | CIF HKL Paper | C34 H26 Mg N4 O4 | P 1 21/n 1 | 11.3182; 14.9745; 16.744 90; 93.044; 90 | 2833.8 | Krause, Lennard; Herbst-Irmer, Regine; Stalke, Dietmar An empirical correction for the influence of low-energy contamination Journal of Applied Crystallography, 2015, 48, 1907-1913 |
2300570 | CIF HKL Paper | C34 H26 Mg N4 O4 | P 1 21/n 1 | 11.3068; 14.9595; 16.7252 90; 93.05; 90 | 2825 | Krause, Lennard; Herbst-Irmer, Regine; Stalke, Dietmar An empirical correction for the influence of low-energy contamination Journal of Applied Crystallography, 2015, 48, 1907-1913 |
2300571 | CIF HKL Paper | C11 H10 O2 S | P 21 21 21 | 5.9633; 9.0417; 18.4007 90; 90; 90 | 992.14 | Krause, Lennard; Herbst-Irmer, Regine; Stalke, Dietmar An empirical correction for the influence of low-energy contamination Journal of Applied Crystallography, 2015, 48, 1907-1913 |
2300572 | CIF HKL Paper | C11 H10 O2 S | P 21 21 21 | 5.9641; 9.0419; 18.4027 90; 90; 90 | 992.4 | Krause, Lennard; Herbst-Irmer, Regine; Stalke, Dietmar An empirical correction for the influence of low-energy contamination Journal of Applied Crystallography, 2015, 48, 1907-1913 |
2300573 | CIF HKL Paper | C11 H10 O2 S | P 21 21 21 | 5.9633; 9.0417; 18.4007 90; 90; 90 | 992.14 | Krause, Lennard; Herbst-Irmer, Regine; Stalke, Dietmar An empirical correction for the influence of low-energy contamination Journal of Applied Crystallography, 2015, 48, 1907-1913 |
2300574 | CIF Paper | C26 H19 P S | P -1 | 10.215; 12.322; 17.351 101.57; 91.25; 112.02 | 1972.2 | Krause, Lennard; Herbst-Irmer, Regine; Stalke, Dietmar An empirical correction for the influence of low-energy contamination Journal of Applied Crystallography, 2015, 48, 1907-1913 |
2300575 | CIF Paper | C26 H19 P S | P -1 | 10.215; 12.322; 17.351 101.57; 91.25; 112.02 | 1972.2 | Krause, Lennard; Herbst-Irmer, Regine; Stalke, Dietmar An empirical correction for the influence of low-energy contamination Journal of Applied Crystallography, 2015, 48, 1907-1913 |
2300576 | CIF HKL | Mo4 O23.12 Sr11 | I 41/a :2 | 11.6416; 11.6416; 16.4524 90; 90; 90 | 2229.74 | López, Carlos A.; Pedregosa, José C.; Fernández-Díaz, María T.; Alonso, José A. High-temperature dynamic octahedral tilting in the ionic conductor Sr~11~Mo~4~O~23~ Journal of Applied Crystallography, 2016, 49, 78-84 |
2300577 | CIF HKL | Mo4 O23.16 Sr11 | I 41/a :2 | 11.6696; 11.6696; 16.4869 90; 90; 90 | 2245.18 | López, Carlos A.; Pedregosa, José C.; Fernández-Díaz, María T.; Alonso, José A. High-temperature dynamic octahedral tilting in the ionic conductor Sr~11~Mo~4~O~23~ Journal of Applied Crystallography, 2016, 49, 78-84 |
2300578 | CIF HKL | Mo4 O21.84 Sr11 | I 41/a :2 | 11.7075; 11.7075; 16.5548 90; 90; 90 | 2269.09 | López, Carlos A.; Pedregosa, José C.; Fernández-Díaz, María T.; Alonso, José A. High-temperature dynamic octahedral tilting in the ionic conductor Sr~11~Mo~4~O~23~ Journal of Applied Crystallography, 2016, 49, 78-84 |
2300579 | CIF HKL | Mo4 O21.92 Sr11 | I 41/a :2 | 11.7466; 11.7466; 16.6088 90; 90; 90 | 2291.73 | López, Carlos A.; Pedregosa, José C.; Fernández-Díaz, María T.; Alonso, José A. High-temperature dynamic octahedral tilting in the ionic conductor Sr~11~Mo~4~O~23~ Journal of Applied Crystallography, 2016, 49, 78-84 |
2300580 | CIF | D V2 | C 1 m 1 | 4.46; 3; 4.46 90; 95.5; 90 | 59.4 | Westlake, D.G.; Mueller, M.H.; Knott, H.W. Structural transitions at low temperature in vanadium deuterides of the Ti-V-H system Journal of Applied Crystallography, 1973, 6, 206-216 |
2300581 | CIF | D0.96 V2 | I m -3 m | 3.14; 3.14; 3.14 90; 90; 90 | 30.959 | Westlake, D.G.; Mueller, M.H.; Knott, H.W. Structural transitions at low temperature in vanadium deuterides of the Ti-V-H system Journal of Applied Crystallography, 1973, 6, 206-216 |
2300582 | CIF | Cd3 H5 N O8 | P m m n :2 | 3.4203; 10.0292; 11.0295 90; 90; 90 | 378.344 | Plevert, J.; Louer, D.; Louer, M. The Ab Initio Structure Determination of Cd3 (O H)5 N O3 from X-ray Powder Diffraction Data Journal of Applied Crystallography, 1989, 22, 470-475 |
2300583 | CIF | Fe2 Mn0.4 O4 Zn0.6 | F d -3 m :1 | 8.4794; 8.4794; 8.4794 90; 90; 90 | 609.671 | Koenig, U.; Chol, G. Roentgenbeugungs- und Neutronenbeugungsuntersuchungen an Ferriten der Reihe Mnx Zn1-x Fe2 O4 Journal of Applied Crystallography, 1968, 1, 124-126 |
2300584 | CIF | Fe2 Mn0.6 O4 Zn0.4 | F d -3 m :1 | 8.4975; 8.4975; 8.4975 90; 90; 90 | 613.583 | Koenig, U.; Chol, G. Roentgenbeugungs- und Neutronenbeugungsuntersuchungen an Ferriten der Reihe Mnx Zn1-x Fe2 O4 Journal of Applied Crystallography, 1968, 1, 124-126 |
2300585 | CIF | Fe2 Mn O4 | F d -3 m :1 | 8.511; 8.511; 8.511 90; 90; 90 | 616.512 | Koenig, U.; Chol, G. Roentgenbeugungs- und Neutronenbeugungsuntersuchungen an Ferriten der Reihe Mnx Zn1-x Fe2 O4 Journal of Applied Crystallography, 1968, 1, 124-126 |
2300586 | CIF | O6 Pb2 Sc Ta | R 3 :R | 8.15231; 8.15231; 8.15231 89.8488; 89.8488; 89.8488 | 541.798 | Woodward, P.M.; Baba-Kishi, K.Z. Crystal structures of the relaxor oxide Pb2 (Sc Ta) O6 in the paraelectric and ferroelectric states Journal of Applied Crystallography, 2002, 35, 233-242 |
2300587 | CIF | Ca9.2 O22.2 | P 63/m | 9.3653; 9.3653; 6.8816 90; 90; 120 | 522.713 | Young, R.A.; Mackie, P.E.; von Dreele, R.B. Application of the Pattern-Fitting Structure-Refinement Method to X-ray Powder Diffractometer Patterns Journal of Applied Crystallography, 1977, 10, 262-269 |
2300588 | CIF HKL | C96 H126 Mg3 N36 | R -3 :H | 10.6769; 10.6769; 24.6539 90; 90; 120 | 2433.9 | Niepötter, Benedikt; Herbst-Irmer, Regine; Stalke, Dietmar Empirical correction for resolution- and temperature-dependent errors caused by factors such as thermal diffuse scattering Journal of Applied Crystallography, 2015, 48, 1485-1497 |
2300589 | CIF HKL | C96 H126 Mg3 N36 | R -3 :H | 10.6769; 10.6769; 24.6539 90; 90; 120 | 2433.9 | Niepötter, Benedikt; Herbst-Irmer, Regine; Stalke, Dietmar Empirical correction for resolution- and temperature-dependent errors caused by factors such as thermal diffuse scattering Journal of Applied Crystallography, 2015, 48, 1485-1497 |
2300590 | CIF HKL | C96 H126 Mg3 N36 | R -3 :H | 10.6769; 10.6769; 24.6539 90; 90; 120 | 2433.9 | Niepötter, Benedikt; Herbst-Irmer, Regine; Stalke, Dietmar Empirical correction for resolution- and temperature-dependent errors caused by factors such as thermal diffuse scattering Journal of Applied Crystallography, 2015, 48, 1485-1497 |
2300591 | CIF HKL | C96 H126 Mg3 N36 | R -3 :H | 10.6769; 10.6769; 24.6539 90; 90; 120 | 2433.9 | Niepötter, Benedikt; Herbst-Irmer, Regine; Stalke, Dietmar Empirical correction for resolution- and temperature-dependent errors caused by factors such as thermal diffuse scattering Journal of Applied Crystallography, 2015, 48, 1485-1497 |
2300592 | CIF HKL | C96 H126 Mg3 N36 | R -3 :H | 10.6712; 10.6712; 24.6546 90; 90; 120 | 2431.4 | Niepötter, Benedikt; Herbst-Irmer, Regine; Stalke, Dietmar Empirical correction for resolution- and temperature-dependent errors caused by factors such as thermal diffuse scattering Journal of Applied Crystallography, 2015, 48, 1485-1497 |
2300593 | CIF HKL | C96 H126 Mg3 N36 | R -3 :H | 10.6712; 10.6712; 24.6546 90; 90; 120 | 2431.4 | Niepötter, Benedikt; Herbst-Irmer, Regine; Stalke, Dietmar Empirical correction for resolution- and temperature-dependent errors caused by factors such as thermal diffuse scattering Journal of Applied Crystallography, 2015, 48, 1485-1497 |
2300594 | CIF HKL | C96 H126 Mg3 N36 | R -3 :H | 10.6712; 10.6712; 24.6546 90; 90; 120 | 2431.4 | Niepötter, Benedikt; Herbst-Irmer, Regine; Stalke, Dietmar Empirical correction for resolution- and temperature-dependent errors caused by factors such as thermal diffuse scattering Journal of Applied Crystallography, 2015, 48, 1485-1497 |
2300595 | CIF HKL | C96 H126 Mg3 N36 | R -3 :H | 10.6712; 10.6712; 24.6546 90; 90; 120 | 2431.4 | Niepötter, Benedikt; Herbst-Irmer, Regine; Stalke, Dietmar Empirical correction for resolution- and temperature-dependent errors caused by factors such as thermal diffuse scattering Journal of Applied Crystallography, 2015, 48, 1485-1497 |
2300596 | CIF HKL | C96 H126 Mg3 N36 | R -3 :H | 10.6434; 10.6434; 24.6108 90; 90; 120 | 2414.4 | Niepötter, Benedikt; Herbst-Irmer, Regine; Stalke, Dietmar Empirical correction for resolution- and temperature-dependent errors caused by factors such as thermal diffuse scattering Journal of Applied Crystallography, 2015, 48, 1485-1497 |
2300597 | CIF HKL | C96 H126 Mg3 N36 | R -3 :H | 10.6434; 10.6434; 24.6108 90; 90; 120 | 2414.4 | Niepötter, Benedikt; Herbst-Irmer, Regine; Stalke, Dietmar Empirical correction for resolution- and temperature-dependent errors caused by factors such as thermal diffuse scattering Journal of Applied Crystallography, 2015, 48, 1485-1497 |
2300598 | CIF HKL | C96 H126 Mg3 N36 | R -3 :H | 10.6434; 10.6434; 24.6108 90; 90; 120 | 2414.4 | Niepötter, Benedikt; Herbst-Irmer, Regine; Stalke, Dietmar Empirical correction for resolution- and temperature-dependent errors caused by factors such as thermal diffuse scattering Journal of Applied Crystallography, 2015, 48, 1485-1497 |
2300599 | CIF HKL | C96 H126 Mg3 N36 | R -3 :H | 10.6434; 10.6434; 24.6108 90; 90; 120 | 2414.4 | Niepötter, Benedikt; Herbst-Irmer, Regine; Stalke, Dietmar Empirical correction for resolution- and temperature-dependent errors caused by factors such as thermal diffuse scattering Journal of Applied Crystallography, 2015, 48, 1485-1497 |
2300600 | CIF HKL | C26 H19 P S | P -1 | 10.225; 12.336; 17.371 101.58; 91.21; 111.99 | 1979.1 | Niepötter, Benedikt; Herbst-Irmer, Regine; Stalke, Dietmar Empirical correction for resolution- and temperature-dependent errors caused by factors such as thermal diffuse scattering Journal of Applied Crystallography, 2015, 48, 1485-1497 |
2300601 | CIF HKL | C26 H19 P S | P -1 | 10.225; 12.336; 17.371 101.58; 91.21; 111.99 | 1979.1 | Niepötter, Benedikt; Herbst-Irmer, Regine; Stalke, Dietmar Empirical correction for resolution- and temperature-dependent errors caused by factors such as thermal diffuse scattering Journal of Applied Crystallography, 2015, 48, 1485-1497 |
2300602 | CIF HKL | C26 H19 P S | P -1 | 10.225; 12.336; 17.371 101.58; 91.21; 111.99 | 1979.1 | Niepötter, Benedikt; Herbst-Irmer, Regine; Stalke, Dietmar Empirical correction for resolution- and temperature-dependent errors caused by factors such as thermal diffuse scattering Journal of Applied Crystallography, 2015, 48, 1485-1497 |
2300603 | CIF HKL | C26 H19 P S | P -1 | 10.225; 12.336; 17.371 101.58; 91.21; 111.99 | 1979.1 | Niepötter, Benedikt; Herbst-Irmer, Regine; Stalke, Dietmar Empirical correction for resolution- and temperature-dependent errors caused by factors such as thermal diffuse scattering Journal of Applied Crystallography, 2015, 48, 1485-1497 |
2300604 | CIF HKL | C26 H19 P S | P -1 | 10.223; 12.326; 17.357 101.55; 91.23; 112.05 | 1974.8 | Niepötter, Benedikt; Herbst-Irmer, Regine; Stalke, Dietmar Empirical correction for resolution- and temperature-dependent errors caused by factors such as thermal diffuse scattering Journal of Applied Crystallography, 2015, 48, 1485-1497 |
2300605 | CIF HKL | C26 H19 P S | P -1 | 10.223; 12.326; 17.357 101.55; 91.23; 112.05 | 1974.8 | Niepötter, Benedikt; Herbst-Irmer, Regine; Stalke, Dietmar Empirical correction for resolution- and temperature-dependent errors caused by factors such as thermal diffuse scattering Journal of Applied Crystallography, 2015, 48, 1485-1497 |
2300606 | CIF HKL | C26 H19 P S | P -1 | 10.223; 12.326; 17.357 101.55; 91.23; 112.05 | 1974.8 | Niepötter, Benedikt; Herbst-Irmer, Regine; Stalke, Dietmar Empirical correction for resolution- and temperature-dependent errors caused by factors such as thermal diffuse scattering Journal of Applied Crystallography, 2015, 48, 1485-1497 |
2300607 | CIF HKL | C26 H19 P S | P -1 | 10.223; 12.326; 17.357 101.55; 91.23; 112.05 | 1974.8 | Niepötter, Benedikt; Herbst-Irmer, Regine; Stalke, Dietmar Empirical correction for resolution- and temperature-dependent errors caused by factors such as thermal diffuse scattering Journal of Applied Crystallography, 2015, 48, 1485-1497 |
2300608 | CIF HKL | C26 H19 P S | P -1 | 10.213; 12.29; 17.335 101.62; 91.37; 112.09 | 1962.9 | Niepötter, Benedikt; Herbst-Irmer, Regine; Stalke, Dietmar Empirical correction for resolution- and temperature-dependent errors caused by factors such as thermal diffuse scattering Journal of Applied Crystallography, 2015, 48, 1485-1497 |
2300609 | CIF HKL | C26 H19 P S | P -1 | 10.213; 12.29; 17.335 101.62; 91.37; 112.09 | 1962.9 | Niepötter, Benedikt; Herbst-Irmer, Regine; Stalke, Dietmar Empirical correction for resolution- and temperature-dependent errors caused by factors such as thermal diffuse scattering Journal of Applied Crystallography, 2015, 48, 1485-1497 |
2300610 | CIF HKL | C26 H19 P S | P -1 | 10.213; 12.29; 17.335 101.62; 91.37; 112.09 | 1962.9 | Niepötter, Benedikt; Herbst-Irmer, Regine; Stalke, Dietmar Empirical correction for resolution- and temperature-dependent errors caused by factors such as thermal diffuse scattering Journal of Applied Crystallography, 2015, 48, 1485-1497 |
2300611 | CIF | Ce0.12 O2 Zr0.82 | P 42/n m c :1 | 3.64195; 3.64195; 5.24403 90; 90; 90 | 69.556 | Lutterotti, L.; Scardi, P. Simultaneous Structure and Size-Strain Refinement by the Rietveld Method Journal of Applied Crystallography, 1990, 23, 246-252 |
2300612 | CIF | O2 Zr | P 42/n m c :1 | 3.5961; 3.5961; 5.177 90; 90; 90 | 66.949 | Lutterotti, L.; Scardi, P. Simultaneous Structure and Size-Strain Refinement by the Rietveld Method Journal of Applied Crystallography, 1990, 23, 246-252 |
2300613 | CIF HKL | B6 Br K3 O10 | R 3 m :H | 10.1252; 10.1252; 8.8687 90; 90; 120 | 787.4 | Xia, Mingjun; Xu, Bo; Liu, Lijuan; Wang, Xiaoyang; Li, Rukang; Chen, Chuangtian Thermo-physical properties of nonlinear optical crystal K~3~B~6~O~10~Br Journal of Applied Crystallography, 2016, 49, 539-543 |
2300614 | CIF HKL | Ba2 Co Ge2 O7 | P -4 21 m | 8.392; 8.392; 5.561 90; 90; 90 | 391.64 | Sazonov, Andrew; Meven, Martin; Roth, Georg; Georgii, Robert; Kézsmárki, István; Kocsis, Vilmos; Tokunaga, Yusuke; Taguchi, Yasujiro; Tokura, Yoshinori; Hutanu, Vladimir Origin of forbidden reflections in multiferroic Ba~2~CoGe~2~O~7~ by neutron diffraction: symmetry lowering or Renninger effect? Journal of Applied Crystallography, 2016, 49, 556-560 |
2300615 | CIF HKL Paper | Fe2 O4 Zn | F d -3 m :2 | 8.391; 8.391; 8.391 90; 90; 90 | 590.8 | Solano, Eduardo; Frontera, Carlos; Puig, Teresa; Obradors, Xavier; Ricart, Susagna; Ros, Josep Neutron and X-ray diffraction study of ferrite nanocrystals obtained by microwave-assisted growth. A structural comparison with the thermal synthetic route Journal of Applied Crystallography, 2014, 47, 414-420 |
2300616 | CIF HKL Paper | Fe3 O4 | F d -3 m :2 | 8.3582; 8.3582; 8.3582 90; 90; 90 | 583.9 | Solano, Eduardo; Frontera, Carlos; Puig, Teresa; Obradors, Xavier; Ricart, Susagna; Ros, Josep Neutron and X-ray diffraction study of ferrite nanocrystals obtained by microwave-assisted growth. A structural comparison with the thermal synthetic route Journal of Applied Crystallography, 2014, 47, 414-420 |
2300617 | CIF Paper | Fe2 O3 | P 43 3 2 | 8.3364; 8.3364; 8.3364 90; 90; 90 | 579.34 | Solano, Eduardo; Frontera, Carlos; Puig, Teresa; Obradors, Xavier; Ricart, Susagna; Ros, Josep Neutron and X-ray diffraction study of ferrite nanocrystals obtained by microwave-assisted growth. A structural comparison with the thermal synthetic route Journal of Applied Crystallography, 2014, 47, 414-420 |
2300618 | CIF HKL Paper | Fe2 Mn O4 | F d -3 m :2 | 8.3711; 8.3711; 8.3711 90; 90; 90 | 586.61 | Solano, Eduardo; Frontera, Carlos; Puig, Teresa; Obradors, Xavier; Ricart, Susagna; Ros, Josep Neutron and X-ray diffraction study of ferrite nanocrystals obtained by microwave-assisted growth. A structural comparison with the thermal synthetic route Journal of Applied Crystallography, 2014, 47, 414-420 |
2300619 | CIF HKL | Mn Si | P 21 3 | 4.5622; 4.5622; 4.5622 90; 90; 90 | 94.956 | Dyadkin, Vadim; Wright, Jon; Pattison, Philip; Chernyshov, Dmitry Probing structural chirality with high-energy synchrotron radiation Journal of Applied Crystallography, 2016, 49, 918-922 |
2300620 | CIF HKL | Mn Si | P 21 3 | 4.5662; 4.5662; 4.5662 90; 90; 90 | 95.206 | Dyadkin, Vadim; Wright, Jon; Pattison, Philip; Chernyshov, Dmitry Probing structural chirality with high-energy synchrotron radiation Journal of Applied Crystallography, 2016, 49, 918-922 |
2300621 | CIF HKL | Co0.3 Fe0.7 Si | P 21 3 | 4.4732; 4.4732; 4.4732 90; 90; 90 | 89.507 | Dyadkin, Vadim; Wright, Jon; Pattison, Philip; Chernyshov, Dmitry Probing structural chirality with high-energy synchrotron radiation Journal of Applied Crystallography, 2016, 49, 918-922 |
2300622 | CIF HKL | Mn1.52 Ni2 Sn0.48 | P m m a | 8.6068; 5.6226; 4.3728 90; 90; 90 | 211.611 | Lin, Chunqing; Yan, Haile; Zhang, Yudong; Esling, Claude; Zhao, Xiang; Zuo, Liang Crystal structure of modulated martensite and crystallographic correlations between martensite variants of Ni~50~Mn~38~Sn~12~ alloy Journal of Applied Crystallography, 2016, 49, 1276-1283 |
2300623 | CIF HKL Paper | C6 H16 Br N | P 21 21 21 | 7.9986; 8.2984; 13.55 90; 90; 90 | 899.39 | Yadav, Harsh; Sinha, Nidhi; Goel, Sahil; Hussain, Abid; Kumar, Binay Growth and structural and physical properties of diisopropylammonium bromide molecular single crystals Journal of Applied Crystallography, 2016, 49, 2053-2062 |
2300624 | CIF HKL Paper | C32 H39 Cl N2 O6 | C 1 c 1 | 11.6771; 29.1114; 9.36146 90; 109.21; 90 | 3005.11 | Rohlíček, Jan; Skořepová, Eliška; Babor, Martin; Čejka, Jan <i>CrystalCMP</i>: an easy-to-use tool for fast comparison of molecular packing Journal of Applied Crystallography, 2016, 49, 2172-2183 |
2300625 | CIF HKL Paper | C32 H36 Cl N O5 | P 1 21/c 1 | 15.64921; 19.57407; 9.67099 90; 102.129; 90 | 2896.28 | Rohlíček, Jan; Skořepová, Eliška; Babor, Martin; Čejka, Jan <i>CrystalCMP</i>: an easy-to-use tool for fast comparison of molecular packing Journal of Applied Crystallography, 2016, 49, 2172-2183 |
2300626 | CIF HKL Paper | C28 H36 Cl N O4 | P 1 21/n 1 | 14.912; 9.4993; 19.407 90; 112.594; 90 | 2538.1 | Rohlíček, Jan; Skořepová, Eliška; Babor, Martin; Čejka, Jan <i>CrystalCMP</i>: an easy-to-use tool for fast comparison of molecular packing Journal of Applied Crystallography, 2016, 49, 2172-2183 |
2300627 | CIF HKL Paper | C32 H36 N2 O7 S | P 1 21/c 1 | 14.2061; 12.6581; 17.5097 90; 113.36; 90 | 2890.55 | Rohlíček, Jan; Skořepová, Eliška; Babor, Martin; Čejka, Jan <i>CrystalCMP</i>: an easy-to-use tool for fast comparison of molecular packing Journal of Applied Crystallography, 2016, 49, 2172-2183 |
2300628 | CIF HKL Paper | C32 H36 N2 O7 S | P 1 21/c 1 | 13.2637; 12.7583; 17.5667 90; 107.448; 90 | 2835.9 | Rohlíček, Jan; Skořepová, Eliška; Babor, Martin; Čejka, Jan <i>CrystalCMP</i>: an easy-to-use tool for fast comparison of molecular packing Journal of Applied Crystallography, 2016, 49, 2172-2183 |
2300629 | CIF HKL Paper | C2 H10 N2 O4 Se | P 43 21 2 | 6.1352; 6.1352; 18.1726 90; 90; 90 | 684.03 | Martin, Alexander T.; Nichols, Shane M.; Li, Sichao; Tan, Melissa; Kahr, Bart Double cone of eigendirections in optically active ethylenediammonium selenate crystals Journal of Applied Crystallography, 2017, 50, 1117-1124 |
2300630 | CIF | Se2 Sn | P -3 m 1 | 3.8108; 3.8108; 6.141 90; 90; 120 | 77.233 | Palosz, B.; Salje, E. Lattice parameters and spontaneous strain in A X2 polytypes: Cd I2, Pb I2, Sn, S2 and SnSe2 Journal of Applied Crystallography, 1989, 22, 622-623 |
2300631 | CIF HKL Paper | B H4 Li | P n m a | 7.1374; 4.4172; 6.7029 90; 90; 90 | 211.32 | Solar, Michael; Trapp, Nils μCHILL: a lightweight, modular system for handling crystalline samples at low temperatures under inert conditions Journal of Applied Crystallography, 2018, 51 |
2300632 | CIF HKL | B H4 Li | P n m a | 7.1431; 4.4159; 6.7027 90; 90; 90 | 211.42 | Solar, Michael; Trapp, Nils μCHILL: a lightweight, modular system for handling crystalline samples at low temperatures under inert conditions Journal of Applied Crystallography, 2018, 51 |
2300633 | CIF HKL Paper | Fe4 Mn Si3 | P 63/m c m | 6.8; 6.8; 4.75 90; 90; 120 | 190.2 | Grzechnik, Andrzej; Meven, Martin; Friese, Karen Single-crystal neutron diffraction in diamond anvil cells with hot neutrons Journal of Applied Crystallography, 2018, 51, 351-356 |
2300634 | CIF HKL | F Fe O3 Se | P 1 21/n 1 | 4.956; 5.202; 12.04 90; 97.87; 90 | 307.48 | Wang, Yunchen; Yang, Taimin; Xu, Hongyi; Zou, Xiaodong; Wan, Wei On the quality of the continuous rotation electron diffraction data for accurate atomic structure determination of inorganic compounds Journal of Applied Crystallography, 2018, 51 |
2300635 | CIF HKL | F Fe O3 Se | P 1 21/n 1 | 4.956; 5.202; 12.04 90; 97.87; 90 | 307.48 | Wang, Yunchen; Yang, Taimin; Xu, Hongyi; Zou, Xiaodong; Wan, Wei On the quality of the continuous rotation electron diffraction data for accurate atomic structure determination of inorganic compounds Journal of Applied Crystallography, 2018, 51 |
2300636 | CIF HKL | F Fe O3 Se | P 1 21/n 1 | 4.956; 5.202; 12.04 90; 97.87; 90 | 307.48 | Wang, Yunchen; Yang, Taimin; Xu, Hongyi; Zou, Xiaodong; Wan, Wei On the quality of the continuous rotation electron diffraction data for accurate atomic structure determination of inorganic compounds Journal of Applied Crystallography, 2018, 51 |
2300637 | CIF HKL | F Fe O3 Se | P 1 21/n 1 | 4.956; 5.202; 12.04 90; 97.87; 90 | 307.48 | Wang, Yunchen; Yang, Taimin; Xu, Hongyi; Zou, Xiaodong; Wan, Wei On the quality of the continuous rotation electron diffraction data for accurate atomic structure determination of inorganic compounds Journal of Applied Crystallography, 2018, 51 |
2300638 | CIF HKL | F Fe O3 Se | P 1 21/n 1 | 4.956; 5.202; 12.04 90; 97.87; 90 | 307.48 | Wang, Yunchen; Yang, Taimin; Xu, Hongyi; Zou, Xiaodong; Wan, Wei On the quality of the continuous rotation electron diffraction data for accurate atomic structure determination of inorganic compounds Journal of Applied Crystallography, 2018, 51 |
2300639 | CIF HKL | F Fe O3 Se | P 1 21/n 1 | 4.956; 5.202; 12.04 90; 97.87; 90 | 307.48 | Wang, Yunchen; Yang, Taimin; Xu, Hongyi; Zou, Xiaodong; Wan, Wei On the quality of the continuous rotation electron diffraction data for accurate atomic structure determination of inorganic compounds Journal of Applied Crystallography, 2018, 51 |
2300640 | CIF HKL | O24 Si12 | P n m a | 20.022; 19.899; 13.383 90; 90; 90 | 5332 | Wang, Yunchen; Yang, Taimin; Xu, Hongyi; Zou, Xiaodong; Wan, Wei On the quality of the continuous rotation electron diffraction data for accurate atomic structure determination of inorganic compounds Journal of Applied Crystallography, 2018, 51 |
2300641 | CIF HKL | O24 Si12 | P n m a | 20.022; 19.899; 13.383 90; 90; 90 | 5332 | Wang, Yunchen; Yang, Taimin; Xu, Hongyi; Zou, Xiaodong; Wan, Wei On the quality of the continuous rotation electron diffraction data for accurate atomic structure determination of inorganic compounds Journal of Applied Crystallography, 2018, 51 |
2300642 | CIF HKL | O192 Si96 | P n m a | 20.022; 19.899; 13.383 90; 90; 90 | 5332 | Wang, Yunchen; Yang, Taimin; Xu, Hongyi; Zou, Xiaodong; Wan, Wei On the quality of the continuous rotation electron diffraction data for accurate atomic structure determination of inorganic compounds Journal of Applied Crystallography, 2018, 51 |
2300643 | CIF HKL | O24 Si12 | P n m a | 20.022; 19.899; 13.383 90; 90; 90 | 5332 | Wang, Yunchen; Yang, Taimin; Xu, Hongyi; Zou, Xiaodong; Wan, Wei On the quality of the continuous rotation electron diffraction data for accurate atomic structure determination of inorganic compounds Journal of Applied Crystallography, 2018, 51 |
2300644 | CIF HKL | O96 Si48 | C m c m | 18.11; 20.53; 7.528 90; 90; 90 | 2798.9 | Cichocka, Magdalena Ola; Ångström, Jonas; Wang, Bin; Zou, Xiaodong; Smeets, Stef High-throughput continuous rotation electron diffraction data acquisition <i>via</i> software automation Journal of Applied Crystallography, 2018, 51 |
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